(2S)-2-(difluoromethyl)-1-propan-2-ylpiperazine;(2R)-2-(difluoromethyl)-1-propan-2-ylpiperazine;(2S)-4,4-difluoro-2-methyl-1-propan-2-ylpiperidine;(2R)-4,4-difluoro-2-methyl-1-propan-2-ylpiperidine;(2S)-2,4-dimethyl-1-propan-2-ylpiperazine;(2R)-2,4-dimethyl-1-propan-2-ylpiperazine;(3S)-3,4-di(propan-2-yl)morpholine;(3R)-3,4-di(propan-2-yl)morpholine;(2S)-2-methyl-3-propan-2-yl-3-azabicyclo[3.1.0]hexane;(2R)-2-methyl-3-propan-2-yl-3-azabicyclo[3.1.0]hexane;(2S)-2-methyl-1-propan-2-ylazetidine;(2R)-2-methyl-1-propan-2-ylazetidine;bis((2R)-2-methyl-4-propan-2-ylmorpholine);bis((2S)-2-methyl-4-propan-2-ylmorpholine);(6S)-6-methyl-5-propan-2-yl-2-oxa-5-azabicyclo[2.2.2]octane;(6R)-6-methyl-5-propan-2-yl-2-oxa-5-azabicyclo[2.2.2]octane;(2S)-2-methyl-1-propan-2-ylpyrrolidine;(2R)-2-methyl-1-propan-2-ylpyrrolidine;(2R)-2-methyl-4-propan-2-yl-1,4-thiazinane 1,1-dioxide;(2S)-2-methyl-4-propan-2-yl-1,4-thiazinane 1,1-dioxide;(3R)-4-propan-2-yl-3-(trifluoromethyl)morpholine;(3S)-4-propan-2-yl-3-(trifluoromethyl)morpholine;(2R)-1-propan-2-yl-2-(trifluoromethyl)piperazine;(2S)-1-propan-2-yl-2-(trifluoromethyl)piperazine;(2R)-1-propan-2-yl-2-(trifluoromethyl)piperidine;(2S)-1-propan-2-yl-2-(trifluoromethyl)piperidine

C238H476F26N34O14S2 — CID 159980154

IUPAC(2S)-2-(difluoromethyl)-1-propan-2-ylpiperazine;(2R)-2-(difluoromethyl)-1-propan-2-ylpiperazine;(2S)-4,4-difluoro-2-methyl-1-propan-2-ylpiperidine;(2R)-4,4-difluoro-2-methyl-1-propan-2-ylpiperidine;(2S)-2,4-dimethyl-1-propan-2-ylpiperazine;(2R)-2,4-dimethyl-1-propan-2-ylpiperazine;(3S)-3,4-di(propan-2-yl)morpholine;(3R)-3,4-di(propan-2-yl)morpholine;(2S)-2-methyl-3-propan-2-yl-3-azabicyclo[3.1.0]hexane;(2R)-2-methyl-3-propan-2-yl-3-azabicyclo[3.1.0]hexane;(2S)-2-methyl-1-propan-2-ylazetidine;(2R)-2-methyl-1-propan-2-ylazetidine;bis((2R)-2-methyl-4-propan-2-ylmorpholine);bis((2S)-2-methyl-4-propan-2-ylmorpholine);(6S)-6-methyl-5-propan-2-yl-2-oxa-5-azabicyclo[2.2.2]octane;(6R)-6-methyl-5-propan-2-yl-2-oxa-5-azabicyclo[2.2.2]octane;(2S)-2-methyl-1-propan-2-ylpyrrolidine;(2R)-2-methyl-1-propan-2-ylpyrrolidine;(2R)-2-methyl-4-propan-2-yl-1,4-thiazinane 1,1-dioxide;(2S)-2-methyl-4-propan-2-yl-1,4-thiazinane 1,1-dioxide;(3R)-4-propan-2-yl-3-(trifluoromethyl)morpholine;(3S)-4-propan-2-yl-3-(trifluoromethyl)morpholine;(2R)-1-propan-2-yl-2-(trifluoromethyl)piperazine;(2S)-1-propan-2-yl-2-(trifluoromethyl)piperazine;(2R)-1-propan-2-yl-2-(trifluoromethyl)piperidine;(2S)-1-propan-2-yl-2-(trifluoromethyl)piperidine
SMILESCC(C)C1COCCN1C(C)C.CC(C)N1C2CCC(OC2)[C@@H]1C.CC(C)N1C2CCC(OC2)[C@H]1C.CC(C)N1CC2CC2[C@@H]1C.CC(C)N1CC2CC2[C@H]1C.CC(C)N1CCC(F)(F)C[C@@H]1C.CC(C)N1CCC(F)(F)C[C@H]1C.CC(C)N1CCCC[C@@H]1C(F)(F)F.CC(C)N1CCCC[C@H]1C(F)(F)F.CC(C)N1CCC[C@@H]1C.CC(C)N1CCC[C@H]1C.CC(C)N1CCN(C)C[C@@H]1C.CC(C)N1CCN(C)C[C@H]1C.CC(C)N1CCNCC1C(F)F.CC(C)N1CCNC[C@@H]1C(F)(F)F.CC(C)N1CCNC[C@@H]1C(F)F.CC(C)N1CCNC[C@H]1C(F)(F)F.CC(C)N1CCOC[C@@H]1C(F)(F)F.CC(C)N1CCOC[C@H]1C(F)(F)F.CC(C)N1CCO[C@@H](C)C1.CC(C)N1CCO[C@@H](C)C1.CC(C)N1CCO[C@H](C)C1.CC(C)N1CCO[C@H](C)C1.CC(C)N1CCS(=O)(=O)[C@@H](C)C1.CC(C)N1CCS(=O)(=O)[C@H](C)C1.CC(C)N1CC[C@@H]1C.CC(C)N1CC[C@H]1C.CC(C)[C@@H]1COCCN1C(C)C
InChIInChI=1S/2C10H19NO.2C10H21NO.2C9H16F3N.2C9H17F2N.2C9H20N2.2C9H17N.2C8H15F3N2.2C8H14F3NO.2C8H16F2N2.2C8H17NO2S.4C8H17NO.2C8H17N.2C7H15N/c2*1-7(2)11-8(3)10-5-4-9(11)6-12-10;2*1-8(2)10-7-12-6-5-11(10)9(3)4;2*1-7(2)13-6-4-3-5-8(13)9(10,11)12;2*1-7(2)12-5-4-9(10,11)6-8(12)3;2*1-8(2)11-6-5-10(4)7-9(11)3;2*1-6(2)10-5-8-4-9(8)7(10)3;2*1-6(2)13-4-3-12-5-7(13)8(9,10)11;2*1-6(2)12-3-4-13-5-7(12)8(9,10)11;2*1-6(2)12-4-3-11-5-7(12)8(9)10;2*1-7(2)9-4-5-12(10,11)8(3)6-9;4*1-7(2)9-4-5-10-8(3)6-9;2*1-7(2)9-6-4-5-8(9)3;2*1-6(2)8-5-4-7(8)3/h2*7-10H,4-6H2,1-3H3;2*8-10H,5-7H2,1-4H3;2*7-8H,3-6H2,1-2H3;2*7-8H,4-6H2,1-3H3;2*8-9H,5-7H2,1-4H3;2*6-9H,4-5H2,1-3H3;2*6-7,12H,3-5H2,1-2H3;2*6-7H,3-5H2,1-2H3;2*6-8,11H,3-5H2,1-2H3;2*7-8H,4-6H2,1-3H3;4*7-8H,4-6H2,1-3H3;2*7-8H,4-6H2,1-3H3;2*6-7H,4-5H2,1-3H3/t2*8-,9?,10?;10-;;4*8-;2*9-;2*7-,8?,9?;5*7-;;8*8-;2*7-/m100.1010101010101.1011001010/s1
InChIKeyOFQQVCYMIKWLCW-KWZOXJBSSA-N
MW4596.73 g/mol
LogP42.85
Rot. Bonds32

About (2S)-2-(difluoromethyl)-1-propan-2-ylpiperazine;(2R)-2-(difluoromethyl)-1-propan-2-ylpiperazine;(2S)-4,4-difluoro-2-methyl-1-propan-2-ylpiperidine;(2R)-4,4-difluoro-2-methyl-1-propan-2-ylpiperidine;(2S)-2,4-dimethyl-1-propan-2-ylpiperazine;(2R)-2,4-dimethyl-1-propan-2-ylpiperazine;(3S)-3,4-di(propan-2-yl)morpholine;(3R)-3,4-di(propan-2-yl)morpholine;(2S)-2-methyl-3-propan-2-yl-3-azabicyclo[3.1.0]hexane;(2R)-2-methyl-3-propan-2-yl-3-azabicyclo[3.1.0]hexane;(2S)-2-methyl-1-propan-2-ylazetidine;(2R)-2-methyl-1-propan-2-ylazetidine;bis((2R)-2-methyl-4-propan-2-ylmorpholine);bis((2S)-2-methyl-4-propan-2-ylmorpholine);(6S)-6-methyl-5-propan-2-yl-2-oxa-5-azabicyclo[2.2.2]octane;(6R)-6-methyl-5-propan-2-yl-2-oxa-5-azabicyclo[2.2.2]octane;(2S)-2-methyl-1-propan-2-ylpyrrolidine;(2R)-2-methyl-1-propan-2-ylpyrrolidine;(2R)-2-methyl-4-propan-2-yl-1,4-thiazinane 1,1-dioxide;(2S)-2-methyl-4-propan-2-yl-1,4-thiazinane 1,1-dioxide;(3R)-4-propan-2-yl-3-(trifluoromethyl)morpholine;(3S)-4-propan-2-yl-3-(trifluoromethyl)morpholine;(2R)-1-propan-2-yl-2-(trifluoromethyl)piperazine;(2S)-1-propan-2-yl-2-(trifluoromethyl)piperazine;(2R)-1-propan-2-yl-2-(trifluoromethyl)piperidine;(2S)-1-propan-2-yl-2-(trifluoromethyl)piperidine

(2S)-2-(difluoromethyl)-1-propan-2-ylpiperazine;(2R)-2-(difluoromethyl)-1-propan-2-ylpiperazine;(2S)-4,4-difluoro-2-methyl-1-propan-2-ylpiperidine;(2R)-4,4-difluoro-2-methyl-1-propan-2-ylpiperidine;(2S)-2,4-dimethyl-1-propan-2-ylpiperazine;(2R)-2,4-dimethyl-1-propan-2-ylpiperazine;(3S)-3,4-di(propan-2-yl)morpholine;(3R)-3,4-di(propan-2-yl)morpholine;(2S)-2-methyl-3-propan-2-yl-3-azabicyclo[3.1.0]hexane;(2R)-2-methyl-3-propan-2-yl-3-azabicyclo[3.1.0]hexane;(2S)-2-methyl-1-propan-2-ylazetidine;(2R)-2-methyl-1-propan-2-ylazetidine;bis((2R)-2-methyl-4-propan-2-ylmorpholine);bis((2S)-2-methyl-4-propan-2-ylmorpholine);(6S)-6-methyl-5-propan-2-yl-2-oxa-5-azabicyclo[2.2.2]octane;(6R)-6-methyl-5-propan-2-yl-2-oxa-5-azabicyclo[2.2.2]octane;(2S)-2-methyl-1-propan-2-ylpyrrolidine;(2R)-2-methyl-1-propan-2-ylpyrrolidine;(2R)-2-methyl-4-propan-2-yl-1,4-thiazinane 1,1-dioxide;(2S)-2-methyl-4-propan-2-yl-1,4-thiazinane 1,1-dioxide;(3R)-4-propan-2-yl-3-(trifluoromethyl)morpholine;(3S)-4-propan-2-yl-3-(trifluoromethyl)morpholine;(2R)-1-propan-2-yl-2-(trifluoromethyl)piperazine;(2S)-1-propan-2-yl-2-(trifluoromethyl)piperazine;(2R)-1-propan-2-yl-2-(trifluoromethyl)piperidine;(2S)-1-propan-2-yl-2-(trifluoromethyl)piperidine (PubChem CID 159980154) has the molecular formula C238H476F26N34O14S2 and a molecular weight of 4596.73 g/mol. Its IUPAC name is (2S)-2-(difluoromethyl)-1-propan-2-ylpiperazine;(2R)-2-(difluoromethyl)-1-propan-2-ylpiperazine;(2S)-4,4-difluoro-2-methyl-1-propan-2-ylpiperidine;(2R)-4,4-difluoro-2-methyl-1-propan-2-ylpiperidine;(2S)-2,4-dimethyl-1-propan-2-ylpiperazine;(2R)-2,4-dimethyl-1-propan-2-ylpiperazine;(3S)-3,4-di(propan-2-yl)morpholine;(3R)-3,4-di(propan-2-yl)morpholine;(2S)-2-methyl-3-propan-2-yl-3-azabicyclo[3.1.0]hexane;(2R)-2-methyl-3-propan-2-yl-3-azabicyclo[3.1.0]hexane;(2S)-2-methyl-1-propan-2-ylazetidine;(2R)-2-methyl-1-propan-2-ylazetidine;bis((2R)-2-methyl-4-propan-2-ylmorpholine);bis((2S)-2-methyl-4-propan-2-ylmorpholine);(6S)-6-methyl-5-propan-2-yl-2-oxa-5-azabicyclo[2.2.2]octane;(6R)-6-methyl-5-propan-2-yl-2-oxa-5-azabicyclo[2.2.2]octane;(2S)-2-methyl-1-propan-2-ylpyrrolidine;(2R)-2-methyl-1-propan-2-ylpyrrolidine;(2R)-2-methyl-4-propan-2-yl-1,4-thiazinane 1,1-dioxide;(2S)-2-methyl-4-propan-2-yl-1,4-thiazinane 1,1-dioxide;(3R)-4-propan-2-yl-3-(trifluoromethyl)morpholine;(3S)-4-propan-2-yl-3-(trifluoromethyl)morpholine;(2R)-1-propan-2-yl-2-(trifluoromethyl)piperazine;(2S)-1-propan-2-yl-2-(trifluoromethyl)piperazine;(2R)-1-propan-2-yl-2-(trifluoromethyl)piperidine;(2S)-1-propan-2-yl-2-(trifluoromethyl)piperidine.

Molecular Properties

Compound Name(2S)-2-(difluoromethyl)-1-propan-2-ylpiperazine;(2R)-2-(difluoromethyl)-1-propan-2-ylpiperazine;(2S)-4,4-difluoro-2-methyl-1-propan-2-ylpiperidine;(2R)-4,4-difluoro-2-methyl-1-propan-2-ylpiperidine;(2S)-2,4-dimethyl-1-propan-2-ylpiperazine;(2R)-2,4-dimethyl-1-propan-2-ylpiperazine;(3S)-3,4-di(propan-2-yl)morpholine;(3R)-3,4-di(propan-2-yl)morpholine;(2S)-2-methyl-3-propan-2-yl-3-azabicyclo[3.1.0]hexane;(2R)-2-methyl-3-propan-2-yl-3-azabicyclo[3.1.0]hexane;(2S)-2-methyl-1-propan-2-ylazetidine;(2R)-2-methyl-1-propan-2-ylazetidine;bis((2R)-2-methyl-4-propan-2-ylmorpholine);bis((2S)-2-methyl-4-propan-2-ylmorpholine);(6S)-6-methyl-5-propan-2-yl-2-oxa-5-azabicyclo[2.2.2]octane;(6R)-6-methyl-5-propan-2-yl-2-oxa-5-azabicyclo[2.2.2]octane;(2S)-2-methyl-1-propan-2-ylpyrrolidine;(2R)-2-methyl-1-propan-2-ylpyrrolidine;(2R)-2-methyl-4-propan-2-yl-1,4-thiazinane 1,1-dioxide;(2S)-2-methyl-4-propan-2-yl-1,4-thiazinane 1,1-dioxide;(3R)-4-propan-2-yl-3-(trifluoromethyl)morpholine;(3S)-4-propan-2-yl-3-(trifluoromethyl)morpholine;(2R)-1-propan-2-yl-2-(trifluoromethyl)piperazine;(2S)-1-propan-2-yl-2-(trifluoromethyl)piperazine;(2R)-1-propan-2-yl-2-(trifluoromethyl)piperidine;(2S)-1-propan-2-yl-2-(trifluoromethyl)piperidine
PubChem CID159980154
Molecular FormulaC238H476F26N34O14S2
Molecular Weight4596.73 g/mol
Exact Mass4593.66
IUPAC Name(2S)-2-(difluoromethyl)-1-propan-2-ylpiperazine;(2R)-2-(difluoromethyl)-1-propan-2-ylpiperazine;(2S)-4,4-difluoro-2-methyl-1-propan-2-ylpiperidine;(2R)-4,4-difluoro-2-methyl-1-propan-2-ylpiperidine;(2S)-2,4-dimethyl-1-propan-2-ylpiperazine;(2R)-2,4-dimethyl-1-propan-2-ylpiperazine;(3S)-3,4-di(propan-2-yl)morpholine;(3R)-3,4-di(propan-2-yl)morpholine;(2S)-2-methyl-3-propan-2-yl-3-azabicyclo[3.1.0]hexane;(2R)-2-methyl-3-propan-2-yl-3-azabicyclo[3.1.0]hexane;(2S)-2-methyl-1-propan-2-ylazetidine;(2R)-2-methyl-1-propan-2-ylazetidine;bis((2R)-2-methyl-4-propan-2-ylmorpholine);bis((2S)-2-methyl-4-propan-2-ylmorpholine);(6S)-6-methyl-5-propan-2-yl-2-oxa-5-azabicyclo[2.2.2]octane;(6R)-6-methyl-5-propan-2-yl-2-oxa-5-azabicyclo[2.2.2]octane;(2S)-2-methyl-1-propan-2-ylpyrrolidine;(2R)-2-methyl-1-propan-2-ylpyrrolidine;(2R)-2-methyl-4-propan-2-yl-1,4-thiazinane 1,1-dioxide;(2S)-2-methyl-4-propan-2-yl-1,4-thiazinane 1,1-dioxide;(3R)-4-propan-2-yl-3-(trifluoromethyl)morpholine;(3S)-4-propan-2-yl-3-(trifluoromethyl)morpholine;(2R)-1-propan-2-yl-2-(trifluoromethyl)piperazine;(2S)-1-propan-2-yl-2-(trifluoromethyl)piperazine;(2R)-1-propan-2-yl-2-(trifluoromethyl)piperidine;(2S)-1-propan-2-yl-2-(trifluoromethyl)piperidine
SMILESCC(C)C1COCCN1C(C)C.CC(C)N1C2CCC(OC2)[C@@H]1C.CC(C)N1C2CCC(OC2)[C@H]1C.CC(C)N1CC2CC2[C@@H]1C.CC(C)N1CC2CC2[C@H]1C.CC(C)N1CCC(F)(F)C[C@@H]1C.CC(C)N1CCC(F)(F)C[C@H]1C.CC(C)N1CCCC[C@@H]1C(F)(F)F.CC(C)N1CCCC[C@H]1C(F)(F)F.CC(C)N1CCC[C@@H]1C.CC(C)N1CCC[C@H]1C.CC(C)N1CCN(C)C[C@@H]1C.CC(C)N1CCN(C)C[C@H]1C.CC(C)N1CCNCC1C(F)F.CC(C)N1CCNC[C@@H]1C(F)(F)F.CC(C)N1CCNC[C@@H]1C(F)F.CC(C)N1CCNC[C@H]1C(F)(F)F.CC(C)N1CCOC[C@@H]1C(F)(F)F.CC(C)N1CCOC[C@H]1C(F)(F)F.CC(C)N1CCO[C@@H](C)C1.CC(C)N1CCO[C@@H](C)C1.CC(C)N1CCO[C@H](C)C1.CC(C)N1CCO[C@H](C)C1.CC(C)N1CCS(=O)(=O)[C@@H](C)C1.CC(C)N1CCS(=O)(=O)[C@H](C)C1.CC(C)N1CC[C@@H]1C.CC(C)N1CC[C@H]1C.CC(C)[C@@H]1COCCN1C(C)C
InChIInChI=1S/2C10H19NO.2C10H21NO.2C9H16F3N.2C9H17F2N.2C9H20N2.2C9H17N.2C8H15F3N2.2C8H14F3NO.2C8H16F2N2.2C8H17NO2S.4C8H17NO.2C8H17N.2C7H15N/c2*1-7(2)11-8(3)10-5-4-9(11)6-12-10;2*1-8(2)10-7-12-6-5-11(10)9(3)4;2*1-7(2)13-6-4-3-5-8(13)9(10,11)12;2*1-7(2)12-5-4-9(10,11)6-8(12)3;2*1-8(2)11-6-5-10(4)7-9(11)3;2*1-6(2)10-5-8-4-9(8)7(10)3;2*1-6(2)13-4-3-12-5-7(13)8(9,10)11;2*1-6(2)12-3-4-13-5-7(12)8(9,10)11;2*1-6(2)12-4-3-11-5-7(12)8(9)10;2*1-7(2)9-4-5-12(10,11)8(3)6-9;4*1-7(2)9-4-5-10-8(3)6-9;2*1-7(2)9-6-4-5-8(9)3;2*1-6(2)8-5-4-7(8)3/h2*7-10H,4-6H2,1-3H3;2*8-10H,5-7H2,1-4H3;2*7-8H,3-6H2,1-2H3;2*7-8H,4-6H2,1-3H3;2*8-9H,5-7H2,1-4H3;2*6-9H,4-5H2,1-3H3;2*6-7,12H,3-5H2,1-2H3;2*6-7H,3-5H2,1-2H3;2*6-8,11H,3-5H2,1-2H3;2*7-8H,4-6H2,1-3H3;4*7-8H,4-6H2,1-3H3;2*7-8H,4-6H2,1-3H3;2*6-7H,4-5H2,1-3H3/t2*8-,9?,10?;10-;;4*8-;2*9-;2*7-,8?,9?;5*7-;;8*8-;2*7-/m100.1010101010101.1011001010/s1
InChIKeyOFQQVCYMIKWLCW-KWZOXJBSSA-N
XLogP42.85
TPSA305.90 Ų
H-Bond Donors4
H-Bond Acceptors48
Rotatable Bonds32
Heavy Atoms314
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5004596.73
LogP ≤ 542.85
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1048

Analyze (2S)-2-(difluoromethyl)-1-propan-2-ylpiperazine;(2R)-2-(difluoromethyl)-1-propan-2-ylpiperazine;(2S)-4,4-difluoro-2-methyl-1-propan-2-ylpiperidine;(2R)-4,4-difluoro-2-methyl-1-propan-2-ylpiperidine;(2S)-2,4-dimethyl-1-propan-2-ylpiperazine;(2R)-2,4-dimethyl-1-propan-2-ylpiperazine;(3S)-3,4-di(propan-2-yl)morpholine;(3R)-3,4-di(propan-2-yl)morpholine;(2S)-2-methyl-3-propan-2-yl-3-azabicyclo[3.1.0]hexane;(2R)-2-methyl-3-propan-2-yl-3-azabicyclo[3.1.0]hexane;(2S)-2-methyl-1-propan-2-ylazetidine;(2R)-2-methyl-1-propan-2-ylazetidine;bis((2R)-2-methyl-4-propan-2-ylmorpholine);bis((2S)-2-methyl-4-propan-2-ylmorpholine);(6S)-6-methyl-5-propan-2-yl-2-oxa-5-azabicyclo[2.2.2]octane;(6R)-6-methyl-5-propan-2-yl-2-oxa-5-azabicyclo[2.2.2]octane;(2S)-2-methyl-1-propan-2-ylpyrrolidine;(2R)-2-methyl-1-propan-2-ylpyrrolidine;(2R)-2-methyl-4-propan-2-yl-1,4-thiazinane 1,1-dioxide;(2S)-2-methyl-4-propan-2-yl-1,4-thiazinane 1,1-dioxide;(3R)-4-propan-2-yl-3-(trifluoromethyl)morpholine;(3S)-4-propan-2-yl-3-(trifluoromethyl)morpholine;(2R)-1-propan-2-yl-2-(trifluoromethyl)piperazine;(2S)-1-propan-2-yl-2-(trifluoromethyl)piperazine;(2R)-1-propan-2-yl-2-(trifluoromethyl)piperidine;(2S)-1-propan-2-yl-2-(trifluoromethyl)piperidine with MolForge

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-(difluoromethyl)-1-propan-2-ylpiperazine;(2R)-2-(difluoromethyl)-1-propan-2-ylpiperazine;(2S)-4,4-difluoro-2-methyl-1-propan-2-ylpiperidine;(2R)-4,4-difluoro-2-methyl-1-propan-2-ylpiperidine;(2S)-2,4-dimethyl-1-propan-2-ylpiperazine;(2R)-2,4-dimethyl-1-propan-2-ylpiperazine;(3S)-3,4-di(propan-2-yl)morpholine;(3R)-3,4-di(propan-2-yl)morpholine;(2S)-2-methyl-3-propan-2-yl-3-azabicyclo[3.1.0]hexane;(2R)-2-methyl-3-propan-2-yl-3-azabicyclo[3.1.0]hexane;(2S)-2-methyl-1-propan-2-ylazetidine;(2R)-2-methyl-1-propan-2-ylazetidine;bis((2R)-2-methyl-4-propan-2-ylmorpholine);bis((2S)-2-methyl-4-propan-2-ylmorpholine);(6S)-6-methyl-5-propan-2-yl-2-oxa-5-azabicyclo[2.2.2]octane;(6R)-6-methyl-5-propan-2-yl-2-oxa-5-azabicyclo[2.2.2]octane;(2S)-2-methyl-1-propan-2-ylpyrrolidine;(2R)-2-methyl-1-propan-2-ylpyrrolidine;(2R)-2-methyl-4-propan-2-yl-1,4-thiazinane 1,1-dioxide;(2S)-2-methyl-4-propan-2-yl-1,4-thiazinane 1,1-dioxide;(3R)-4-propan-2-yl-3-(trifluoromethyl)morpholine;(3S)-4-propan-2-yl-3-(trifluoromethyl)morpholine;(2R)-1-propan-2-yl-2-(trifluoromethyl)piperazine;(2S)-1-propan-2-yl-2-(trifluoromethyl)piperazine;(2R)-1-propan-2-yl-2-(trifluoromethyl)piperidine;(2S)-1-propan-2-yl-2-(trifluoromethyl)piperidine?
The IUPAC name of (2S)-2-(difluoromethyl)-1-propan-2-ylpiperazine;(2R)-2-(difluoromethyl)-1-propan-2-ylpiperazine;(2S)-4,4-difluoro-2-methyl-1-propan-2-ylpiperidine;(2R)-4,4-difluoro-2-methyl-1-propan-2-ylpiperidine;(2S)-2,4-dimethyl-1-propan-2-ylpiperazine;(2R)-2,4-dimethyl-1-propan-2-ylpiperazine;(3S)-3,4-di(propan-2-yl)morpholine;(3R)-3,4-di(propan-2-yl)morpholine;(2S)-2-methyl-3-propan-2-yl-3-azabicyclo[3.1.0]hexane;(2R)-2-methyl-3-propan-2-yl-3-azabicyclo[3.1.0]hexane;(2S)-2-methyl-1-propan-2-ylazetidine;(2R)-2-methyl-1-propan-2-ylazetidine;bis((2R)-2-methyl-4-propan-2-ylmorpholine);bis((2S)-2-methyl-4-propan-2-ylmorpholine);(6S)-6-methyl-5-propan-2-yl-2-oxa-5-azabicyclo[2.2.2]octane;(6R)-6-methyl-5-propan-2-yl-2-oxa-5-azabicyclo[2.2.2]octane;(2S)-2-methyl-1-propan-2-ylpyrrolidine;(2R)-2-methyl-1-propan-2-ylpyrrolidine;(2R)-2-methyl-4-propan-2-yl-1,4-thiazinane 1,1-dioxide;(2S)-2-methyl-4-propan-2-yl-1,4-thiazinane 1,1-dioxide;(3R)-4-propan-2-yl-3-(trifluoromethyl)morpholine;(3S)-4-propan-2-yl-3-(trifluoromethyl)morpholine;(2R)-1-propan-2-yl-2-(trifluoromethyl)piperazine;(2S)-1-propan-2-yl-2-(trifluoromethyl)piperazine;(2R)-1-propan-2-yl-2-(trifluoromethyl)piperidine;(2S)-1-propan-2-yl-2-(trifluoromethyl)piperidine (CID 159980154) is (2S)-2-(difluoromethyl)-1-propan-2-ylpiperazine;(2R)-2-(difluoromethyl)-1-propan-2-ylpiperazine;(2S)-4,4-difluoro-2-methyl-1-propan-2-ylpiperidine;(2R)-4,4-difluoro-2-methyl-1-propan-2-ylpiperidine;(2S)-2,4-dimethyl-1-propan-2-ylpiperazine;(2R)-2,4-dimethyl-1-propan-2-ylpiperazine;(3S)-3,4-di(propan-2-yl)morpholine;(3R)-3,4-di(propan-2-yl)morpholine;(2S)-2-methyl-3-propan-2-yl-3-azabicyclo[3.1.0]hexane;(2R)-2-methyl-3-propan-2-yl-3-azabicyclo[3.1.0]hexane;(2S)-2-methyl-1-propan-2-ylazetidine;(2R)-2-methyl-1-propan-2-ylazetidine;bis((2R)-2-methyl-4-propan-2-ylmorpholine);bis((2S)-2-methyl-4-propan-2-ylmorpholine);(6S)-6-methyl-5-propan-2-yl-2-oxa-5-azabicyclo[2.2.2]octane;(6R)-6-methyl-5-propan-2-yl-2-oxa-5-azabicyclo[2.2.2]octane;(2S)-2-methyl-1-propan-2-ylpyrrolidine;(2R)-2-methyl-1-propan-2-ylpyrrolidine;(2R)-2-methyl-4-propan-2-yl-1,4-thiazinane 1,1-dioxide;(2S)-2-methyl-4-propan-2-yl-1,4-thiazinane 1,1-dioxide;(3R)-4-propan-2-yl-3-(trifluoromethyl)morpholine;(3S)-4-propan-2-yl-3-(trifluoromethyl)morpholine;(2R)-1-propan-2-yl-2-(trifluoromethyl)piperazine;(2S)-1-propan-2-yl-2-(trifluoromethyl)piperazine;(2R)-1-propan-2-yl-2-(trifluoromethyl)piperidine;(2S)-1-propan-2-yl-2-(trifluoromethyl)piperidine.
What is the SMILES notation for (2S)-2-(difluoromethyl)-1-propan-2-ylpiperazine;(2R)-2-(difluoromethyl)-1-propan-2-ylpiperazine;(2S)-4,4-difluoro-2-methyl-1-propan-2-ylpiperidine;(2R)-4,4-difluoro-2-methyl-1-propan-2-ylpiperidine;(2S)-2,4-dimethyl-1-propan-2-ylpiperazine;(2R)-2,4-dimethyl-1-propan-2-ylpiperazine;(3S)-3,4-di(propan-2-yl)morpholine;(3R)-3,4-di(propan-2-yl)morpholine;(2S)-2-methyl-3-propan-2-yl-3-azabicyclo[3.1.0]hexane;(2R)-2-methyl-3-propan-2-yl-3-azabicyclo[3.1.0]hexane;(2S)-2-methyl-1-propan-2-ylazetidine;(2R)-2-methyl-1-propan-2-ylazetidine;bis((2R)-2-methyl-4-propan-2-ylmorpholine);bis((2S)-2-methyl-4-propan-2-ylmorpholine);(6S)-6-methyl-5-propan-2-yl-2-oxa-5-azabicyclo[2.2.2]octane;(6R)-6-methyl-5-propan-2-yl-2-oxa-5-azabicyclo[2.2.2]octane;(2S)-2-methyl-1-propan-2-ylpyrrolidine;(2R)-2-methyl-1-propan-2-ylpyrrolidine;(2R)-2-methyl-4-propan-2-yl-1,4-thiazinane 1,1-dioxide;(2S)-2-methyl-4-propan-2-yl-1,4-thiazinane 1,1-dioxide;(3R)-4-propan-2-yl-3-(trifluoromethyl)morpholine;(3S)-4-propan-2-yl-3-(trifluoromethyl)morpholine;(2R)-1-propan-2-yl-2-(trifluoromethyl)piperazine;(2S)-1-propan-2-yl-2-(trifluoromethyl)piperazine;(2R)-1-propan-2-yl-2-(trifluoromethyl)piperidine;(2S)-1-propan-2-yl-2-(trifluoromethyl)piperidine?
The canonical SMILES for (2S)-2-(difluoromethyl)-1-propan-2-ylpiperazine;(2R)-2-(difluoromethyl)-1-propan-2-ylpiperazine;(2S)-4,4-difluoro-2-methyl-1-propan-2-ylpiperidine;(2R)-4,4-difluoro-2-methyl-1-propan-2-ylpiperidine;(2S)-2,4-dimethyl-1-propan-2-ylpiperazine;(2R)-2,4-dimethyl-1-propan-2-ylpiperazine;(3S)-3,4-di(propan-2-yl)morpholine;(3R)-3,4-di(propan-2-yl)morpholine;(2S)-2-methyl-3-propan-2-yl-3-azabicyclo[3.1.0]hexane;(2R)-2-methyl-3-propan-2-yl-3-azabicyclo[3.1.0]hexane;(2S)-2-methyl-1-propan-2-ylazetidine;(2R)-2-methyl-1-propan-2-ylazetidine;bis((2R)-2-methyl-4-propan-2-ylmorpholine);bis((2S)-2-methyl-4-propan-2-ylmorpholine);(6S)-6-methyl-5-propan-2-yl-2-oxa-5-azabicyclo[2.2.2]octane;(6R)-6-methyl-5-propan-2-yl-2-oxa-5-azabicyclo[2.2.2]octane;(2S)-2-methyl-1-propan-2-ylpyrrolidine;(2R)-2-methyl-1-propan-2-ylpyrrolidine;(2R)-2-methyl-4-propan-2-yl-1,4-thiazinane 1,1-dioxide;(2S)-2-methyl-4-propan-2-yl-1,4-thiazinane 1,1-dioxide;(3R)-4-propan-2-yl-3-(trifluoromethyl)morpholine;(3S)-4-propan-2-yl-3-(trifluoromethyl)morpholine;(2R)-1-propan-2-yl-2-(trifluoromethyl)piperazine;(2S)-1-propan-2-yl-2-(trifluoromethyl)piperazine;(2R)-1-propan-2-yl-2-(trifluoromethyl)piperidine;(2S)-1-propan-2-yl-2-(trifluoromethyl)piperidine is CC(C)C1COCCN1C(C)C.CC(C)N1C2CCC(OC2)[C@@H]1C.CC(C)N1C2CCC(OC2)[C@H]1C.CC(C)N1CC2CC2[C@@H]1C.CC(C)N1CC2CC2[C@H]1C.CC(C)N1CCC(F)(F)C[C@@H]1C.CC(C)N1CCC(F)(F)C[C@H]1C.CC(C)N1CCCC[C@@H]1C(F)(F)F.CC(C)N1CCCC[C@H]1C(F)(F)F.CC(C)N1CCC[C@@H]1C.CC(C)N1CCC[C@H]1C.CC(C)N1CCN(C)C[C@@H]1C.CC(C)N1CCN(C)C[C@H]1C.CC(C)N1CCNCC1C(F)F.CC(C)N1CCNC[C@@H]1C(F)(F)F.CC(C)N1CCNC[C@@H]1C(F)F.CC(C)N1CCNC[C@H]1C(F)(F)F.CC(C)N1CCOC[C@@H]1C(F)(F)F.CC(C)N1CCOC[C@H]1C(F)(F)F.CC(C)N1CCO[C@@H](C)C1.CC(C)N1CCO[C@@H](C)C1.CC(C)N1CCO[C@H](C)C1.CC(C)N1CCO[C@H](C)C1.CC(C)N1CCS(=O)(=O)[C@@H](C)C1.CC(C)N1CCS(=O)(=O)[C@H](C)C1.CC(C)N1CC[C@@H]1C.CC(C)N1CC[C@H]1C.CC(C)[C@@H]1COCCN1C(C)C.
What is the InChIKey of (2S)-2-(difluoromethyl)-1-propan-2-ylpiperazine;(2R)-2-(difluoromethyl)-1-propan-2-ylpiperazine;(2S)-4,4-difluoro-2-methyl-1-propan-2-ylpiperidine;(2R)-4,4-difluoro-2-methyl-1-propan-2-ylpiperidine;(2S)-2,4-dimethyl-1-propan-2-ylpiperazine;(2R)-2,4-dimethyl-1-propan-2-ylpiperazine;(3S)-3,4-di(propan-2-yl)morpholine;(3R)-3,4-di(propan-2-yl)morpholine;(2S)-2-methyl-3-propan-2-yl-3-azabicyclo[3.1.0]hexane;(2R)-2-methyl-3-propan-2-yl-3-azabicyclo[3.1.0]hexane;(2S)-2-methyl-1-propan-2-ylazetidine;(2R)-2-methyl-1-propan-2-ylazetidine;bis((2R)-2-methyl-4-propan-2-ylmorpholine);bis((2S)-2-methyl-4-propan-2-ylmorpholine);(6S)-6-methyl-5-propan-2-yl-2-oxa-5-azabicyclo[2.2.2]octane;(6R)-6-methyl-5-propan-2-yl-2-oxa-5-azabicyclo[2.2.2]octane;(2S)-2-methyl-1-propan-2-ylpyrrolidine;(2R)-2-methyl-1-propan-2-ylpyrrolidine;(2R)-2-methyl-4-propan-2-yl-1,4-thiazinane 1,1-dioxide;(2S)-2-methyl-4-propan-2-yl-1,4-thiazinane 1,1-dioxide;(3R)-4-propan-2-yl-3-(trifluoromethyl)morpholine;(3S)-4-propan-2-yl-3-(trifluoromethyl)morpholine;(2R)-1-propan-2-yl-2-(trifluoromethyl)piperazine;(2S)-1-propan-2-yl-2-(trifluoromethyl)piperazine;(2R)-1-propan-2-yl-2-(trifluoromethyl)piperidine;(2S)-1-propan-2-yl-2-(trifluoromethyl)piperidine?
The InChIKey is OFQQVCYMIKWLCW-KWZOXJBSSA-N. The full InChI is InChI=1S/2C10H19NO.2C10H21NO.2C9H16F3N.2C9H17F2N.2C9H20N2.2C9H17N.2C8H15F3N2.2C8H14F3NO.2C8H16F2N2.2C8H17NO2S.4C8H17NO.2C8H17N.2C7H15N/c2*1-7(2)11-8(3)10-5-4-9(11)6-12-10;2*1-8(2)10-7-12-6-5-11(10)9(3)4;2*1-7(2)13-6-4-3-5-8(13)9(10,11)12;2*1-7(2)12-5-4-9(10,11)6-8(12)3;2*1-8(2)11-6-5-10(4)7-9(11)3;2*1-6(2)10-5-8-4-9(8)7(10)3;2*1-6(2)13-4-3-12-5-7(13)8(9,10)11;2*1-6(2)12-3-4-13-5-7(12)8(9,10)11;2*1-6(2)12-4-3-11-5-7(12)8(9)10;2*1-7(2)9-4-5-12(10,11)8(3)6-9;4*1-7(2)9-4-5-10-8(3)6-9;2*1-7(2)9-6-4-5-8(9)3;2*1-6(2)8-5-4-7(8)3/h2*7-10H,4-6H2,1-3H3;2*8-10H,5-7H2,1-4H3;2*7-8H,3-6H2,1-2H3;2*7-8H,4-6H2,1-3H3;2*8-9H,5-7H2,1-4H3;2*6-9H,4-5H2,1-3H3;2*6-7,12H,3-5H2,1-2H3;2*6-7H,3-5H2,1-2H3;2*6-8,11H,3-5H2,1-2H3;2*7-8H,4-6H2,1-3H3;4*7-8H,4-6H2,1-3H3;2*7-8H,4-6H2,1-3H3;2*6-7H,4-5H2,1-3H3/t2*8-,9?,10?;10-;;4*8-;2*9-;2*7-,8?,9?;5*7-;;8*8-;2*7-/m100.1010101010101.1011001010/s1.
What are the key properties of (2S)-2-(difluoromethyl)-1-propan-2-ylpiperazine;(2R)-2-(difluoromethyl)-1-propan-2-ylpiperazine;(2S)-4,4-difluoro-2-methyl-1-propan-2-ylpiperidine;(2R)-4,4-difluoro-2-methyl-1-propan-2-ylpiperidine;(2S)-2,4-dimethyl-1-propan-2-ylpiperazine;(2R)-2,4-dimethyl-1-propan-2-ylpiperazine;(3S)-3,4-di(propan-2-yl)morpholine;(3R)-3,4-di(propan-2-yl)morpholine;(2S)-2-methyl-3-propan-2-yl-3-azabicyclo[3.1.0]hexane;(2R)-2-methyl-3-propan-2-yl-3-azabicyclo[3.1.0]hexane;(2S)-2-methyl-1-propan-2-ylazetidine;(2R)-2-methyl-1-propan-2-ylazetidine;bis((2R)-2-methyl-4-propan-2-ylmorpholine);bis((2S)-2-methyl-4-propan-2-ylmorpholine);(6S)-6-methyl-5-propan-2-yl-2-oxa-5-azabicyclo[2.2.2]octane;(6R)-6-methyl-5-propan-2-yl-2-oxa-5-azabicyclo[2.2.2]octane;(2S)-2-methyl-1-propan-2-ylpyrrolidine;(2R)-2-methyl-1-propan-2-ylpyrrolidine;(2R)-2-methyl-4-propan-2-yl-1,4-thiazinane 1,1-dioxide;(2S)-2-methyl-4-propan-2-yl-1,4-thiazinane 1,1-dioxide;(3R)-4-propan-2-yl-3-(trifluoromethyl)morpholine;(3S)-4-propan-2-yl-3-(trifluoromethyl)morpholine;(2R)-1-propan-2-yl-2-(trifluoromethyl)piperazine;(2S)-1-propan-2-yl-2-(trifluoromethyl)piperazine;(2R)-1-propan-2-yl-2-(trifluoromethyl)piperidine;(2S)-1-propan-2-yl-2-(trifluoromethyl)piperidine?
(2S)-2-(difluoromethyl)-1-propan-2-ylpiperazine;(2R)-2-(difluoromethyl)-1-propan-2-ylpiperazine;(2S)-4,4-difluoro-2-methyl-1-propan-2-ylpiperidine;(2R)-4,4-difluoro-2-methyl-1-propan-2-ylpiperidine;(2S)-2,4-dimethyl-1-propan-2-ylpiperazine;(2R)-2,4-dimethyl-1-propan-2-ylpiperazine;(3S)-3,4-di(propan-2-yl)morpholine;(3R)-3,4-di(propan-2-yl)morpholine;(2S)-2-methyl-3-propan-2-yl-3-azabicyclo[3.1.0]hexane;(2R)-2-methyl-3-propan-2-yl-3-azabicyclo[3.1.0]hexane;(2S)-2-methyl-1-propan-2-ylazetidine;(2R)-2-methyl-1-propan-2-ylazetidine;bis((2R)-2-methyl-4-propan-2-ylmorpholine);bis((2S)-2-methyl-4-propan-2-ylmorpholine);(6S)-6-methyl-5-propan-2-yl-2-oxa-5-azabicyclo[2.2.2]octane;(6R)-6-methyl-5-propan-2-yl-2-oxa-5-azabicyclo[2.2.2]octane;(2S)-2-methyl-1-propan-2-ylpyrrolidine;(2R)-2-methyl-1-propan-2-ylpyrrolidine;(2R)-2-methyl-4-propan-2-yl-1,4-thiazinane 1,1-dioxide;(2S)-2-methyl-4-propan-2-yl-1,4-thiazinane 1,1-dioxide;(3R)-4-propan-2-yl-3-(trifluoromethyl)morpholine;(3S)-4-propan-2-yl-3-(trifluoromethyl)morpholine;(2R)-1-propan-2-yl-2-(trifluoromethyl)piperazine;(2S)-1-propan-2-yl-2-(trifluoromethyl)piperazine;(2R)-1-propan-2-yl-2-(trifluoromethyl)piperidine;(2S)-1-propan-2-yl-2-(trifluoromethyl)piperidine has a molecular weight of 4596.73 g/mol, XLogP of 42.85, 32 rotatable bonds, 4 hydrogen bond donors, and 48 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(difluoromethyl)-1-propan-2-ylpiperazine;(2R)-2-(difluoromethyl)-1-propan-2-ylpiperazine;(2S)-4,4-difluoro-2-methyl-1-propan-2-ylpiperidine;(2R)-4,4-difluoro-2-methyl-1-propan-2-ylpiperidine;(2S)-2,4-dimethyl-1-propan-2-ylpiperazine;(2R)-2,4-dimethyl-1-propan-2-ylpiperazine;(3S)-3,4-di(propan-2-yl)morpholine;(3R)-3,4-di(propan-2-yl)morpholine;(2S)-2-methyl-3-propan-2-yl-3-azabicyclo[3.1.0]hexane;(2R)-2-methyl-3-propan-2-yl-3-azabicyclo[3.1.0]hexane;(2S)-2-methyl-1-propan-2-ylazetidine;(2R)-2-methyl-1-propan-2-ylazetidine;bis((2R)-2-methyl-4-propan-2-ylmorpholine);bis((2S)-2-methyl-4-propan-2-ylmorpholine);(6S)-6-methyl-5-propan-2-yl-2-oxa-5-azabicyclo[2.2.2]octane;(6R)-6-methyl-5-propan-2-yl-2-oxa-5-azabicyclo[2.2.2]octane;(2S)-2-methyl-1-propan-2-ylpyrrolidine;(2R)-2-methyl-1-propan-2-ylpyrrolidine;(2R)-2-methyl-4-propan-2-yl-1,4-thiazinane 1,1-dioxide;(2S)-2-methyl-4-propan-2-yl-1,4-thiazinane 1,1-dioxide;(3R)-4-propan-2-yl-3-(trifluoromethyl)morpholine;(3S)-4-propan-2-yl-3-(trifluoromethyl)morpholine;(2R)-1-propan-2-yl-2-(trifluoromethyl)piperazine;(2S)-1-propan-2-yl-2-(trifluoromethyl)piperazine;(2R)-1-propan-2-yl-2-(trifluoromethyl)piperidine;(2S)-1-propan-2-yl-2-(trifluoromethyl)piperidine is sourced from PubChem (CID 159980154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).