(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;methane;(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;(2R)-2-methyl-1-propan-2-ylazetidine;(2S)-2-methyl-1-propan-2-ylazetidine;(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;(2R)-2-methyl-1-propan-2-ylpyrrolidine;(2S)-2-methyl-1-propan-2-ylpyrrolidine;(2R)-1-propan-2-yl-2-(trifluoromethyl)piperazine;(2S)-1-propan-2-yl-2-(trifluoromethyl)piperazine

C149H324F14N22O2 — CID 159980574

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;methane;(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;(2R)-2-methyl-1-propan-2-ylazetidine;(2S)-2-methyl-1-propan-2-ylazetidine;(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;(2R)-2-methyl-1-propan-2-ylpyrrolidine;(2S)-2-methyl-1-propan-2-ylpyrrolidine;(2R)-1-propan-2-yl-2-(trifluoromethyl)piperazine;(2S)-1-propan-2-yl-2-(trifluoromethyl)piperazine
SMILESC.C.C.C.C.C.C.C.C.C.C.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)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)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)N1CCNC[C@H]1C(F)F.CC(C)N1CC[C@@H]1C.CC(C)N1CC[C@H]1C
InChIInChI=1S/2C10H19NO.2C9H17F2N.2C9H20N2.2C9H17N.2C8H15F3N2.2C8H16F2N2.2C8H17N.2C7H15N.13CH4/c2*1-7(2)11-8(3)10-5-4-9(11)6-12-10;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)12-4-3-11-5-7(12)8(9)10;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*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*6-8,11H,3-5H2,1-2H3;2*7-8H,4-6H2,1-3H3;2*6-7H,4-5H2,1-3H3;13*1H4/t2*8-,9?,10?;2*8-;2*9-;2*7-,8?,9?;4*7-;2*8-;2*7-;;;;;;;;;;;;;/m1010101010101010............./s1
InChIKeyOFSFYEBEPHLKEU-RIEONPDESA-N
MW2722.35 g/mol
LogP33.19
Rot. Bonds18

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;methane;(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;(2R)-2-methyl-1-propan-2-ylazetidine;(2S)-2-methyl-1-propan-2-ylazetidine;(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;(2R)-2-methyl-1-propan-2-ylpyrrolidine;(2S)-2-methyl-1-propan-2-ylpyrrolidine;(2R)-1-propan-2-yl-2-(trifluoromethyl)piperazine;(2S)-1-propan-2-yl-2-(trifluoromethyl)piperazine

(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;methane;(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;(2R)-2-methyl-1-propan-2-ylazetidine;(2S)-2-methyl-1-propan-2-ylazetidine;(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;(2R)-2-methyl-1-propan-2-ylpyrrolidine;(2S)-2-methyl-1-propan-2-ylpyrrolidine;(2R)-1-propan-2-yl-2-(trifluoromethyl)piperazine;(2S)-1-propan-2-yl-2-(trifluoromethyl)piperazine (PubChem CID 159980574) has the molecular formula C149H324F14N22O2 and a molecular weight of 2722.35 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;methane;(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;(2R)-2-methyl-1-propan-2-ylazetidine;(2S)-2-methyl-1-propan-2-ylazetidine;(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;(2R)-2-methyl-1-propan-2-ylpyrrolidine;(2S)-2-methyl-1-propan-2-ylpyrrolidine;(2R)-1-propan-2-yl-2-(trifluoromethyl)piperazine;(2S)-1-propan-2-yl-2-(trifluoromethyl)piperazine.

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;methane;(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;(2R)-2-methyl-1-propan-2-ylazetidine;(2S)-2-methyl-1-propan-2-ylazetidine;(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;(2R)-2-methyl-1-propan-2-ylpyrrolidine;(2S)-2-methyl-1-propan-2-ylpyrrolidine;(2R)-1-propan-2-yl-2-(trifluoromethyl)piperazine;(2S)-1-propan-2-yl-2-(trifluoromethyl)piperazine
PubChem CID159980574
Molecular FormulaC149H324F14N22O2
Molecular Weight2722.35 g/mol
Exact Mass2720.57
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;methane;(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;(2R)-2-methyl-1-propan-2-ylazetidine;(2S)-2-methyl-1-propan-2-ylazetidine;(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;(2R)-2-methyl-1-propan-2-ylpyrrolidine;(2S)-2-methyl-1-propan-2-ylpyrrolidine;(2R)-1-propan-2-yl-2-(trifluoromethyl)piperazine;(2S)-1-propan-2-yl-2-(trifluoromethyl)piperazine
SMILESC.C.C.C.C.C.C.C.C.C.C.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)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)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)N1CCNC[C@H]1C(F)F.CC(C)N1CC[C@@H]1C.CC(C)N1CC[C@H]1C
InChIInChI=1S/2C10H19NO.2C9H17F2N.2C9H20N2.2C9H17N.2C8H15F3N2.2C8H16F2N2.2C8H17N.2C7H15N.13CH4/c2*1-7(2)11-8(3)10-5-4-9(11)6-12-10;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)12-4-3-11-5-7(12)8(9)10;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*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*6-8,11H,3-5H2,1-2H3;2*7-8H,4-6H2,1-3H3;2*6-7H,4-5H2,1-3H3;13*1H4/t2*8-,9?,10?;2*8-;2*9-;2*7-,8?,9?;4*7-;2*8-;2*7-;;;;;;;;;;;;;/m1010101010101010............./s1
InChIKeyOFSFYEBEPHLKEU-RIEONPDESA-N
XLogP33.19
TPSA124.90 Ų
H-Bond Donors4
H-Bond Acceptors24
Rotatable Bonds18
Heavy Atoms187
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002722.35
LogP ≤ 533.19
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1024

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;methane;(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;(2R)-2-methyl-1-propan-2-ylazetidine;(2S)-2-methyl-1-propan-2-ylazetidine;(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;(2R)-2-methyl-1-propan-2-ylpyrrolidine;(2S)-2-methyl-1-propan-2-ylpyrrolidine;(2R)-1-propan-2-yl-2-(trifluoromethyl)piperazine;(2S)-1-propan-2-yl-2-(trifluoromethyl)piperazine with MolForge

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Related Compounds

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;methane;(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;(2R)-2-methyl-1-propan-2-ylazetidine;(2S)-2-methyl-1-propan-2-ylazetidine;(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;(2R)-2-methyl-1-propan-2-ylpyrrolidine;(2S)-2-methyl-1-propan-2-ylpyrrolidine;(2R)-1-propan-2-yl-2-(trifluoromethyl)piperazine;(2S)-1-propan-2-yl-2-(trifluoromethyl)piperazine?
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;methane;(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;(2R)-2-methyl-1-propan-2-ylazetidine;(2S)-2-methyl-1-propan-2-ylazetidine;(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;(2R)-2-methyl-1-propan-2-ylpyrrolidine;(2S)-2-methyl-1-propan-2-ylpyrrolidine;(2R)-1-propan-2-yl-2-(trifluoromethyl)piperazine;(2S)-1-propan-2-yl-2-(trifluoromethyl)piperazine (CID 159980574) 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;methane;(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;(2R)-2-methyl-1-propan-2-ylazetidine;(2S)-2-methyl-1-propan-2-ylazetidine;(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;(2R)-2-methyl-1-propan-2-ylpyrrolidine;(2S)-2-methyl-1-propan-2-ylpyrrolidine;(2R)-1-propan-2-yl-2-(trifluoromethyl)piperazine;(2S)-1-propan-2-yl-2-(trifluoromethyl)piperazine.
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;methane;(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;(2R)-2-methyl-1-propan-2-ylazetidine;(2S)-2-methyl-1-propan-2-ylazetidine;(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;(2R)-2-methyl-1-propan-2-ylpyrrolidine;(2S)-2-methyl-1-propan-2-ylpyrrolidine;(2R)-1-propan-2-yl-2-(trifluoromethyl)piperazine;(2S)-1-propan-2-yl-2-(trifluoromethyl)piperazine?
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;methane;(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;(2R)-2-methyl-1-propan-2-ylazetidine;(2S)-2-methyl-1-propan-2-ylazetidine;(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;(2R)-2-methyl-1-propan-2-ylpyrrolidine;(2S)-2-methyl-1-propan-2-ylpyrrolidine;(2R)-1-propan-2-yl-2-(trifluoromethyl)piperazine;(2S)-1-propan-2-yl-2-(trifluoromethyl)piperazine is C.C.C.C.C.C.C.C.C.C.C.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)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)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)N1CCNC[C@H]1C(F)F.CC(C)N1CC[C@@H]1C.CC(C)N1CC[C@H]1C.
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;methane;(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;(2R)-2-methyl-1-propan-2-ylazetidine;(2S)-2-methyl-1-propan-2-ylazetidine;(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;(2R)-2-methyl-1-propan-2-ylpyrrolidine;(2S)-2-methyl-1-propan-2-ylpyrrolidine;(2R)-1-propan-2-yl-2-(trifluoromethyl)piperazine;(2S)-1-propan-2-yl-2-(trifluoromethyl)piperazine?
The InChIKey is OFSFYEBEPHLKEU-RIEONPDESA-N. The full InChI is InChI=1S/2C10H19NO.2C9H17F2N.2C9H20N2.2C9H17N.2C8H15F3N2.2C8H16F2N2.2C8H17N.2C7H15N.13CH4/c2*1-7(2)11-8(3)10-5-4-9(11)6-12-10;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)12-4-3-11-5-7(12)8(9)10;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*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*6-8,11H,3-5H2,1-2H3;2*7-8H,4-6H2,1-3H3;2*6-7H,4-5H2,1-3H3;13*1H4/t2*8-,9?,10?;2*8-;2*9-;2*7-,8?,9?;4*7-;2*8-;2*7-;;;;;;;;;;;;;/m1010101010101010............./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;methane;(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;(2R)-2-methyl-1-propan-2-ylazetidine;(2S)-2-methyl-1-propan-2-ylazetidine;(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;(2R)-2-methyl-1-propan-2-ylpyrrolidine;(2S)-2-methyl-1-propan-2-ylpyrrolidine;(2R)-1-propan-2-yl-2-(trifluoromethyl)piperazine;(2S)-1-propan-2-yl-2-(trifluoromethyl)piperazine?
(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;methane;(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;(2R)-2-methyl-1-propan-2-ylazetidine;(2S)-2-methyl-1-propan-2-ylazetidine;(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;(2R)-2-methyl-1-propan-2-ylpyrrolidine;(2S)-2-methyl-1-propan-2-ylpyrrolidine;(2R)-1-propan-2-yl-2-(trifluoromethyl)piperazine;(2S)-1-propan-2-yl-2-(trifluoromethyl)piperazine has a molecular weight of 2722.35 g/mol, XLogP of 33.19, 18 rotatable bonds, 4 hydrogen bond donors, and 24 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;methane;(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;(2R)-2-methyl-1-propan-2-ylazetidine;(2S)-2-methyl-1-propan-2-ylazetidine;(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;(2R)-2-methyl-1-propan-2-ylpyrrolidine;(2S)-2-methyl-1-propan-2-ylpyrrolidine;(2R)-1-propan-2-yl-2-(trifluoromethyl)piperazine;(2S)-1-propan-2-yl-2-(trifluoromethyl)piperazine is sourced from PubChem (CID 159980574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).