2,2-dimethyl-4-propan-2-ylmorpholine;(2R)-2-ethyl-4-propan-2-ylmorpholine;(2R)-2-methyl-4-propan-2-ylmorpholine;(2S)-2-methyl-4-propan-2-ylmorpholine;1-methyl-4-propan-2-ylpiperazine;3-methyl-1-propan-2-ylpiperazine;2-methyl-1-propan-2-ylpiperidine;4-methyl-1-propan-2-ylpiperidine;4-propan-2-ylmorpholine;bis(1-propan-2-ylpiperidine);(2R)-4-propan-2-yl-2-(trifluoromethyl)morpholine;(2S)-4-propan-2-yl-2-(trifluoromethyl)morpholine;4-propan-2-yl-2-(trifluoromethyl)morpholine;1-propan-2-yl-4-(trifluoromethyl)piperidine;(3S)-1-propan-2-yl-3-(trifluoromethyl)piperidine;(3R)-1-propan-2-yl-3-(trifluoromethyl)piperidine;1-propan-2-yl-2-(trifluoromethyl)pyrrolidine;(2R)-1-propan-2-yl-2-(trifluoromethyl)pyrrolidine;(3S)-1-propan-2-yl-3-(trifluoromethyl)pyrrolidine;(3R)-1-propan-2-yl-3-(trifluoromethyl)pyrrolidine

C174H341F30N23O8 — CID 161285337

IUPAC2,2-dimethyl-4-propan-2-ylmorpholine;(2R)-2-ethyl-4-propan-2-ylmorpholine;(2R)-2-methyl-4-propan-2-ylmorpholine;(2S)-2-methyl-4-propan-2-ylmorpholine;1-methyl-4-propan-2-ylpiperazine;3-methyl-1-propan-2-ylpiperazine;2-methyl-1-propan-2-ylpiperidine;4-methyl-1-propan-2-ylpiperidine;4-propan-2-ylmorpholine;bis(1-propan-2-ylpiperidine);(2R)-4-propan-2-yl-2-(trifluoromethyl)morpholine;(2S)-4-propan-2-yl-2-(trifluoromethyl)morpholine;4-propan-2-yl-2-(trifluoromethyl)morpholine;1-propan-2-yl-4-(trifluoromethyl)piperidine;(3S)-1-propan-2-yl-3-(trifluoromethyl)piperidine;(3R)-1-propan-2-yl-3-(trifluoromethyl)piperidine;1-propan-2-yl-2-(trifluoromethyl)pyrrolidine;(2R)-1-propan-2-yl-2-(trifluoromethyl)pyrrolidine;(3S)-1-propan-2-yl-3-(trifluoromethyl)pyrrolidine;(3R)-1-propan-2-yl-3-(trifluoromethyl)pyrrolidine
SMILESCC(C)N1CCC(C(F)(F)F)CC1.CC(C)N1CCCC1C(F)(F)F.CC(C)N1CCCCC1.CC(C)N1CCCCC1.CC(C)N1CCCCC1C.CC(C)N1CCC[C@@H](C(F)(F)F)C1.CC(C)N1CCC[C@@H]1C(F)(F)F.CC(C)N1CCC[C@H](C(F)(F)F)C1.CC(C)N1CCN(C)CC1.CC(C)N1CCOC(C(F)(F)F)C1.CC(C)N1CCOC(C)(C)C1.CC(C)N1CCOCC1.CC(C)N1CCO[C@@H](C(F)(F)F)C1.CC(C)N1CCO[C@@H](C)C1.CC(C)N1CCO[C@H](C(F)(F)F)C1.CC(C)N1CCO[C@H](C)C1.CC(C)N1CC[C@@H](C(F)(F)F)C1.CC(C)N1CC[C@H](C(F)(F)F)C1.CC1CCN(C(C)C)CC1.CC1CN(C(C)C)CCN1.CC[C@@H]1CN(C(C)C)CCO1
InChIInChI=1S/3C9H16F3N.2C9H19NO.2C9H19N.3C8H14F3NO.4C8H14F3N.2C8H18N2.2C8H17NO.2C8H17N.C7H15NO/c1-7(2)13-5-3-8(4-6-13)9(10,11)12;2*1-7(2)13-5-3-4-8(6-13)9(10,11)12;1-8(2)10-5-6-11-9(3,4)7-10;1-4-9-7-10(8(2)3)5-6-11-9;1-8(2)10-6-4-9(3)5-7-10;1-8(2)10-7-5-4-6-9(10)3;3*1-6(2)12-3-4-13-7(5-12)8(9,10)11;2*1-6(2)12-4-3-7(5-12)8(9,10)11;2*1-6(2)12-5-3-4-7(12)8(9,10)11;1-8(2)10-6-4-9(3)5-7-10;1-7(2)10-5-4-9-8(3)6-10;2*1-7(2)9-4-5-10-8(3)6-9;2*1-8(2)9-6-4-3-5-7-9;1-7(2)8-3-5-9-6-4-8/h3*7-8H,3-6H2,1-2H3;8H,5-7H2,1-4H3;8-9H,4-7H2,1-3H3;2*8-9H,4-7H2,1-3H3;3*6-7H,3-5H2,1-2H3;4*6-7H,3-5H2,1-2H3;8H,4-7H2,1-3H3;7-9H,4-6H2,1-3H3;2*7-8H,4-6H2,1-3H3;2*8H,3-7H2,1-2H3;7H,3-6H2,1-2H3/t;2*8-;;9-;;;2*7-;;3*7-;;;;2*8-;;;/m.10.1..10.101...10.../s1
InChIKeyVFQFHRGENZMKGO-BHIMRDMKSA-N
MW3453.73 g/mol
LogP37.84
Rot. Bonds22

About 2,2-dimethyl-4-propan-2-ylmorpholine;(2R)-2-ethyl-4-propan-2-ylmorpholine;(2R)-2-methyl-4-propan-2-ylmorpholine;(2S)-2-methyl-4-propan-2-ylmorpholine;1-methyl-4-propan-2-ylpiperazine;3-methyl-1-propan-2-ylpiperazine;2-methyl-1-propan-2-ylpiperidine;4-methyl-1-propan-2-ylpiperidine;4-propan-2-ylmorpholine;bis(1-propan-2-ylpiperidine);(2R)-4-propan-2-yl-2-(trifluoromethyl)morpholine;(2S)-4-propan-2-yl-2-(trifluoromethyl)morpholine;4-propan-2-yl-2-(trifluoromethyl)morpholine;1-propan-2-yl-4-(trifluoromethyl)piperidine;(3S)-1-propan-2-yl-3-(trifluoromethyl)piperidine;(3R)-1-propan-2-yl-3-(trifluoromethyl)piperidine;1-propan-2-yl-2-(trifluoromethyl)pyrrolidine;(2R)-1-propan-2-yl-2-(trifluoromethyl)pyrrolidine;(3S)-1-propan-2-yl-3-(trifluoromethyl)pyrrolidine;(3R)-1-propan-2-yl-3-(trifluoromethyl)pyrrolidine

2,2-dimethyl-4-propan-2-ylmorpholine;(2R)-2-ethyl-4-propan-2-ylmorpholine;(2R)-2-methyl-4-propan-2-ylmorpholine;(2S)-2-methyl-4-propan-2-ylmorpholine;1-methyl-4-propan-2-ylpiperazine;3-methyl-1-propan-2-ylpiperazine;2-methyl-1-propan-2-ylpiperidine;4-methyl-1-propan-2-ylpiperidine;4-propan-2-ylmorpholine;bis(1-propan-2-ylpiperidine);(2R)-4-propan-2-yl-2-(trifluoromethyl)morpholine;(2S)-4-propan-2-yl-2-(trifluoromethyl)morpholine;4-propan-2-yl-2-(trifluoromethyl)morpholine;1-propan-2-yl-4-(trifluoromethyl)piperidine;(3S)-1-propan-2-yl-3-(trifluoromethyl)piperidine;(3R)-1-propan-2-yl-3-(trifluoromethyl)piperidine;1-propan-2-yl-2-(trifluoromethyl)pyrrolidine;(2R)-1-propan-2-yl-2-(trifluoromethyl)pyrrolidine;(3S)-1-propan-2-yl-3-(trifluoromethyl)pyrrolidine;(3R)-1-propan-2-yl-3-(trifluoromethyl)pyrrolidine (PubChem CID 161285337) has the molecular formula C174H341F30N23O8 and a molecular weight of 3453.73 g/mol. Its IUPAC name is 2,2-dimethyl-4-propan-2-ylmorpholine;(2R)-2-ethyl-4-propan-2-ylmorpholine;(2R)-2-methyl-4-propan-2-ylmorpholine;(2S)-2-methyl-4-propan-2-ylmorpholine;1-methyl-4-propan-2-ylpiperazine;3-methyl-1-propan-2-ylpiperazine;2-methyl-1-propan-2-ylpiperidine;4-methyl-1-propan-2-ylpiperidine;4-propan-2-ylmorpholine;bis(1-propan-2-ylpiperidine);(2R)-4-propan-2-yl-2-(trifluoromethyl)morpholine;(2S)-4-propan-2-yl-2-(trifluoromethyl)morpholine;4-propan-2-yl-2-(trifluoromethyl)morpholine;1-propan-2-yl-4-(trifluoromethyl)piperidine;(3S)-1-propan-2-yl-3-(trifluoromethyl)piperidine;(3R)-1-propan-2-yl-3-(trifluoromethyl)piperidine;1-propan-2-yl-2-(trifluoromethyl)pyrrolidine;(2R)-1-propan-2-yl-2-(trifluoromethyl)pyrrolidine;(3S)-1-propan-2-yl-3-(trifluoromethyl)pyrrolidine;(3R)-1-propan-2-yl-3-(trifluoromethyl)pyrrolidine.

Molecular Properties

Compound Name2,2-dimethyl-4-propan-2-ylmorpholine;(2R)-2-ethyl-4-propan-2-ylmorpholine;(2R)-2-methyl-4-propan-2-ylmorpholine;(2S)-2-methyl-4-propan-2-ylmorpholine;1-methyl-4-propan-2-ylpiperazine;3-methyl-1-propan-2-ylpiperazine;2-methyl-1-propan-2-ylpiperidine;4-methyl-1-propan-2-ylpiperidine;4-propan-2-ylmorpholine;bis(1-propan-2-ylpiperidine);(2R)-4-propan-2-yl-2-(trifluoromethyl)morpholine;(2S)-4-propan-2-yl-2-(trifluoromethyl)morpholine;4-propan-2-yl-2-(trifluoromethyl)morpholine;1-propan-2-yl-4-(trifluoromethyl)piperidine;(3S)-1-propan-2-yl-3-(trifluoromethyl)piperidine;(3R)-1-propan-2-yl-3-(trifluoromethyl)piperidine;1-propan-2-yl-2-(trifluoromethyl)pyrrolidine;(2R)-1-propan-2-yl-2-(trifluoromethyl)pyrrolidine;(3S)-1-propan-2-yl-3-(trifluoromethyl)pyrrolidine;(3R)-1-propan-2-yl-3-(trifluoromethyl)pyrrolidine
PubChem CID161285337
Molecular FormulaC174H341F30N23O8
Molecular Weight3453.73 g/mol
Exact Mass3451.65
IUPAC Name2,2-dimethyl-4-propan-2-ylmorpholine;(2R)-2-ethyl-4-propan-2-ylmorpholine;(2R)-2-methyl-4-propan-2-ylmorpholine;(2S)-2-methyl-4-propan-2-ylmorpholine;1-methyl-4-propan-2-ylpiperazine;3-methyl-1-propan-2-ylpiperazine;2-methyl-1-propan-2-ylpiperidine;4-methyl-1-propan-2-ylpiperidine;4-propan-2-ylmorpholine;bis(1-propan-2-ylpiperidine);(2R)-4-propan-2-yl-2-(trifluoromethyl)morpholine;(2S)-4-propan-2-yl-2-(trifluoromethyl)morpholine;4-propan-2-yl-2-(trifluoromethyl)morpholine;1-propan-2-yl-4-(trifluoromethyl)piperidine;(3S)-1-propan-2-yl-3-(trifluoromethyl)piperidine;(3R)-1-propan-2-yl-3-(trifluoromethyl)piperidine;1-propan-2-yl-2-(trifluoromethyl)pyrrolidine;(2R)-1-propan-2-yl-2-(trifluoromethyl)pyrrolidine;(3S)-1-propan-2-yl-3-(trifluoromethyl)pyrrolidine;(3R)-1-propan-2-yl-3-(trifluoromethyl)pyrrolidine
SMILESCC(C)N1CCC(C(F)(F)F)CC1.CC(C)N1CCCC1C(F)(F)F.CC(C)N1CCCCC1.CC(C)N1CCCCC1.CC(C)N1CCCCC1C.CC(C)N1CCC[C@@H](C(F)(F)F)C1.CC(C)N1CCC[C@@H]1C(F)(F)F.CC(C)N1CCC[C@H](C(F)(F)F)C1.CC(C)N1CCN(C)CC1.CC(C)N1CCOC(C(F)(F)F)C1.CC(C)N1CCOC(C)(C)C1.CC(C)N1CCOCC1.CC(C)N1CCO[C@@H](C(F)(F)F)C1.CC(C)N1CCO[C@@H](C)C1.CC(C)N1CCO[C@H](C(F)(F)F)C1.CC(C)N1CCO[C@H](C)C1.CC(C)N1CC[C@@H](C(F)(F)F)C1.CC(C)N1CC[C@H](C(F)(F)F)C1.CC1CCN(C(C)C)CC1.CC1CN(C(C)C)CCN1.CC[C@@H]1CN(C(C)C)CCO1
InChIInChI=1S/3C9H16F3N.2C9H19NO.2C9H19N.3C8H14F3NO.4C8H14F3N.2C8H18N2.2C8H17NO.2C8H17N.C7H15NO/c1-7(2)13-5-3-8(4-6-13)9(10,11)12;2*1-7(2)13-5-3-4-8(6-13)9(10,11)12;1-8(2)10-5-6-11-9(3,4)7-10;1-4-9-7-10(8(2)3)5-6-11-9;1-8(2)10-6-4-9(3)5-7-10;1-8(2)10-7-5-4-6-9(10)3;3*1-6(2)12-3-4-13-7(5-12)8(9,10)11;2*1-6(2)12-4-3-7(5-12)8(9,10)11;2*1-6(2)12-5-3-4-7(12)8(9,10)11;1-8(2)10-6-4-9(3)5-7-10;1-7(2)10-5-4-9-8(3)6-10;2*1-7(2)9-4-5-10-8(3)6-9;2*1-8(2)9-6-4-3-5-7-9;1-7(2)8-3-5-9-6-4-8/h3*7-8H,3-6H2,1-2H3;8H,5-7H2,1-4H3;8-9H,4-7H2,1-3H3;2*8-9H,4-7H2,1-3H3;3*6-7H,3-5H2,1-2H3;4*6-7H,3-5H2,1-2H3;8H,4-7H2,1-3H3;7-9H,4-6H2,1-3H3;2*7-8H,4-6H2,1-3H3;2*8H,3-7H2,1-2H3;7H,3-6H2,1-2H3/t;2*8-;;9-;;;2*7-;;3*7-;;;;2*8-;;;/m.10.1..10.101...10.../s1
InChIKeyVFQFHRGENZMKGO-BHIMRDMKSA-N
XLogP37.84
TPSA157.15 Ų
H-Bond Donors1
H-Bond Acceptors31
Rotatable Bonds22
Heavy Atoms235
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003453.73
LogP ≤ 537.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1031

Analyze 2,2-dimethyl-4-propan-2-ylmorpholine;(2R)-2-ethyl-4-propan-2-ylmorpholine;(2R)-2-methyl-4-propan-2-ylmorpholine;(2S)-2-methyl-4-propan-2-ylmorpholine;1-methyl-4-propan-2-ylpiperazine;3-methyl-1-propan-2-ylpiperazine;2-methyl-1-propan-2-ylpiperidine;4-methyl-1-propan-2-ylpiperidine;4-propan-2-ylmorpholine;bis(1-propan-2-ylpiperidine);(2R)-4-propan-2-yl-2-(trifluoromethyl)morpholine;(2S)-4-propan-2-yl-2-(trifluoromethyl)morpholine;4-propan-2-yl-2-(trifluoromethyl)morpholine;1-propan-2-yl-4-(trifluoromethyl)piperidine;(3S)-1-propan-2-yl-3-(trifluoromethyl)piperidine;(3R)-1-propan-2-yl-3-(trifluoromethyl)piperidine;1-propan-2-yl-2-(trifluoromethyl)pyrrolidine;(2R)-1-propan-2-yl-2-(trifluoromethyl)pyrrolidine;(3S)-1-propan-2-yl-3-(trifluoromethyl)pyrrolidine;(3R)-1-propan-2-yl-3-(trifluoromethyl)pyrrolidine with MolForge

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Launch Full Analysis

Related Compounds

CID 157818371
CID 157818371
4-[(2S)-1-ethylpyrrolidin-2-yl]-1-methylpiperidine;4-[(2S)-1-(2-fluoroethyl)pyrrolidin-2-yl]-1-methylpiperidine;4-[(2S)-1-(2-methoxyethyl)pyrrolidin-2-yl]-1-methylpiperidine;1-methyl-4-(1-methylpyrrolidin-2-yl)piperidine;1-methyl-4-pyrrolidin-2-ylpiperidine;1-methyl-4-[(2S)-1-(2,2,2-trifluoroethyl)pyrrolidin-2-yl]piperidine;1-methyl-4-[(2S)-1-(3,3,3-trifluoropropyl)pyrrolidin-2-yl]piperidine
CID 158334799
N-tert-butylcyclopentanamine;N-tert-butyl-N',N'-diethylethane-1,2-diamine;1-tert-butyl-N,N-dimethylpiperidin-4-amine;N-tert-butyl-3-methylpiperidin-4-amine;N-tert-butylpiperidin-3-amine;N-tert-butylpiperidin-4-amine;3,3-difluoropiperidin-4-amine;1-ethyl-3-fluoropiperidin-4-amine;1-ethylpiperidin-3-amine;1-ethylpyrrolidin-3-amine;N-[(4-fluoropiperidin-4-yl)methyl]-2-methylpropan-2-amine;methane;2-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]propan-2-amine;4-methylpiperidin-4-amine;hexakis(2-methylpropane);3-[(2-methylpropan-2-yl)oxy]-1-azabicyclo[2.2.1]heptane;oxan-2-ylmethanamine
CID 158614735
4,4-difluoro-1-propan-2-ylpiperidine;N,1-dimethyl-N-propan-2-ylpiperidin-4-amine;1,4-di(propan-2-yl)piperazine;1-ethyl-4-propan-2-ylpiperazine;1-methyl-4-(2-methylpropyl)piperazine;1-methyl-4-(2-methylpropyl)piperidine;(1S,4S)-2-methyl-5-propan-2-yl-2,5-diazabicyclo[2.2.1]heptane;1-methyl-4-(2-propan-2-yloxyethyl)piperazine;1-methyl-4-propan-2-ylpiperazine;1-(2-methylpropyl)pyrrolidine;4-propan-2-ylmorpholine;1-(2-propan-2-yloxyethyl)piperazine;1-(2-propan-2-yloxyethyl)piperidine;1-(2-propan-2-yloxyethyl)pyrrolidine;1-propan-2-ylpiperazine;1-propan-2-ylpiperidine;4-propan-2-ylpiperidine;1-propan-2-ylpyrrolidine
CID 158684961
CID 158838479
CID 158838479
4,4-difluoro-1-(2-methylpropyl)piperidine;3-fluoro-1-(2-methylpropyl)azetidine;4-fluoro-1-(2-methylpropyl)piperidine;1-methyl-4-propan-2-yloxypiperidine;1-methyl-4-propan-2-ylpiperazine;1-methyl-N-propan-2-ylpiperidin-4-amine;1-methyl-4-propan-2-ylpiperidine;4-(2-methylpropyl)morpholine;1-(2-methylpropyl)pyrrolidine;1-(2-propan-2-yloxyethyl)pyrrolidine;1-propan-2-ylpyrrolidine
CID 159467287
4,4-difluoro-1-propan-2-ylpiperidine;N,1-dimethyl-N-propan-2-ylpiperidin-4-amine;1,4-di(propan-2-yl)piperazine;1-ethyl-4-propan-2-ylpiperazine;1-methyl-4-(2-methylpropyl)piperazine;1-methyl-4-(2-methylpropyl)piperidine;(1S,4S)-2-methyl-5-propan-2-yl-2,5-diazabicyclo[2.2.1]heptane;1-methyl-4-(2-propan-2-yloxyethyl)piperazine;1-methyl-4-propan-2-ylpiperazine;1-(2-methylpropyl)pyrrolidine;4-propan-2-ylmorpholine;1-(2-propan-2-yloxyethyl)piperidine;1-(2-propan-2-yloxyethyl)pyrrolidine;1-propan-2-ylpiperazine;1-propan-2-ylpiperidine;1-propan-2-ylpyrrolidine
CID 159599369
2-cyclopropyl-4-propan-2-ylmorpholine;2,2-dimethyl-4-propan-2-ylmorpholine;(2S,6S)-2,6-dimethyl-4-propan-2-ylmorpholine;(2R,6R)-2,6-dimethyl-4-propan-2-ylmorpholine;(2R,6S)-2,6-dimethyl-4-propan-2-ylmorpholine;(2R)-2-ethyl-4-propan-2-ylmorpholine;bis((2R)-2-methyl-4-propan-2-ylmorpholine);bis((2S)-2-methyl-4-propan-2-ylmorpholine);2-methyl-4-propan-2-ylmorpholine;1-methyl-4-propan-2-ylpiperazine;3-methyl-1-propan-2-ylpiperazine;2-methyl-1-propan-2-ylpiperidine;bis(4-methyl-1-propan-2-ylpiperidine);2-methyl-1-propan-2-ylpyrrolidine;(2S)-2-methyl-1-propan-2-ylpyrrolidine;tris(1-propan-2-ylpiperidine);(3S)-1-propan-2-yl-3-(trifluoromethyl)piperidine;(3R)-1-propan-2-yl-3-(trifluoromethyl)piperidine;(3R)-1-propan-2-yl-3-(trifluoromethyl)pyrrolidine;(3S)-1-propan-2-yl-3-(trifluoromethyl)pyrrolidine
CID 160209125
4,4-difluoro-1-(2-methylpropyl)piperidine;3-methyl-1-(2-methylpropyl)azetidine;4-methyl-1-(2-methylpropyl)piperidine;1-methyl-4-propan-2-yloxypiperidine;1-methyl-4-propan-2-ylpiperazine;1-methyl-N-propan-2-ylpiperidin-4-amine;1-methyl-4-propan-2-ylpiperidine;1-(2-methylpropyl)piperidine;1-(2-methylpropyl)pyrrolidine;1-(2-propan-2-yloxyethyl)pyrrolidine;1-propan-2-ylpyrrolidine
CID 167654024
4,4-difluoro-1-(2-methylpropyl)piperidine;methane;3-methyl-1-(2-methylpropyl)azetidine;4-methyl-1-(2-methylpropyl)piperidine;1-methyl-4-propan-2-yloxypiperidine;1-methyl-4-propan-2-ylpiperazine;1-methyl-N-propan-2-ylpiperidin-4-amine;4-methyl-1-propan-2-ylpiperidine;1-(2-methylpropyl)piperidine;1-(2-methylpropyl)pyrrolidine;1-(2-propan-2-yloxyethyl)pyrrolidine;1-propan-2-ylpyrrolidine
CID 167706385
4-Fluoro-1-propan-2-ylpiperidine;1-methyl-4-(propan-2-yloxymethyl)piperazine;1-methyl-4-(propan-2-yloxymethyl)piperidine;bis(1-methyl-3-(propan-2-yloxymethyl)pyrrolidine);3-methyl-1-propan-2-ylpyrrolidine;4-(propan-2-yloxymethyl)morpholine;1-(propan-2-yloxymethyl)piperazine;1-(propan-2-yloxymethyl)piperidine;1-propan-2-ylpyrrolidine
CID 159713432
CID 160269110
CID 160269110

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-4-propan-2-ylmorpholine;(2R)-2-ethyl-4-propan-2-ylmorpholine;(2R)-2-methyl-4-propan-2-ylmorpholine;(2S)-2-methyl-4-propan-2-ylmorpholine;1-methyl-4-propan-2-ylpiperazine;3-methyl-1-propan-2-ylpiperazine;2-methyl-1-propan-2-ylpiperidine;4-methyl-1-propan-2-ylpiperidine;4-propan-2-ylmorpholine;bis(1-propan-2-ylpiperidine);(2R)-4-propan-2-yl-2-(trifluoromethyl)morpholine;(2S)-4-propan-2-yl-2-(trifluoromethyl)morpholine;4-propan-2-yl-2-(trifluoromethyl)morpholine;1-propan-2-yl-4-(trifluoromethyl)piperidine;(3S)-1-propan-2-yl-3-(trifluoromethyl)piperidine;(3R)-1-propan-2-yl-3-(trifluoromethyl)piperidine;1-propan-2-yl-2-(trifluoromethyl)pyrrolidine;(2R)-1-propan-2-yl-2-(trifluoromethyl)pyrrolidine;(3S)-1-propan-2-yl-3-(trifluoromethyl)pyrrolidine;(3R)-1-propan-2-yl-3-(trifluoromethyl)pyrrolidine?
The IUPAC name of 2,2-dimethyl-4-propan-2-ylmorpholine;(2R)-2-ethyl-4-propan-2-ylmorpholine;(2R)-2-methyl-4-propan-2-ylmorpholine;(2S)-2-methyl-4-propan-2-ylmorpholine;1-methyl-4-propan-2-ylpiperazine;3-methyl-1-propan-2-ylpiperazine;2-methyl-1-propan-2-ylpiperidine;4-methyl-1-propan-2-ylpiperidine;4-propan-2-ylmorpholine;bis(1-propan-2-ylpiperidine);(2R)-4-propan-2-yl-2-(trifluoromethyl)morpholine;(2S)-4-propan-2-yl-2-(trifluoromethyl)morpholine;4-propan-2-yl-2-(trifluoromethyl)morpholine;1-propan-2-yl-4-(trifluoromethyl)piperidine;(3S)-1-propan-2-yl-3-(trifluoromethyl)piperidine;(3R)-1-propan-2-yl-3-(trifluoromethyl)piperidine;1-propan-2-yl-2-(trifluoromethyl)pyrrolidine;(2R)-1-propan-2-yl-2-(trifluoromethyl)pyrrolidine;(3S)-1-propan-2-yl-3-(trifluoromethyl)pyrrolidine;(3R)-1-propan-2-yl-3-(trifluoromethyl)pyrrolidine (CID 161285337) is 2,2-dimethyl-4-propan-2-ylmorpholine;(2R)-2-ethyl-4-propan-2-ylmorpholine;(2R)-2-methyl-4-propan-2-ylmorpholine;(2S)-2-methyl-4-propan-2-ylmorpholine;1-methyl-4-propan-2-ylpiperazine;3-methyl-1-propan-2-ylpiperazine;2-methyl-1-propan-2-ylpiperidine;4-methyl-1-propan-2-ylpiperidine;4-propan-2-ylmorpholine;bis(1-propan-2-ylpiperidine);(2R)-4-propan-2-yl-2-(trifluoromethyl)morpholine;(2S)-4-propan-2-yl-2-(trifluoromethyl)morpholine;4-propan-2-yl-2-(trifluoromethyl)morpholine;1-propan-2-yl-4-(trifluoromethyl)piperidine;(3S)-1-propan-2-yl-3-(trifluoromethyl)piperidine;(3R)-1-propan-2-yl-3-(trifluoromethyl)piperidine;1-propan-2-yl-2-(trifluoromethyl)pyrrolidine;(2R)-1-propan-2-yl-2-(trifluoromethyl)pyrrolidine;(3S)-1-propan-2-yl-3-(trifluoromethyl)pyrrolidine;(3R)-1-propan-2-yl-3-(trifluoromethyl)pyrrolidine.
What is the SMILES notation for 2,2-dimethyl-4-propan-2-ylmorpholine;(2R)-2-ethyl-4-propan-2-ylmorpholine;(2R)-2-methyl-4-propan-2-ylmorpholine;(2S)-2-methyl-4-propan-2-ylmorpholine;1-methyl-4-propan-2-ylpiperazine;3-methyl-1-propan-2-ylpiperazine;2-methyl-1-propan-2-ylpiperidine;4-methyl-1-propan-2-ylpiperidine;4-propan-2-ylmorpholine;bis(1-propan-2-ylpiperidine);(2R)-4-propan-2-yl-2-(trifluoromethyl)morpholine;(2S)-4-propan-2-yl-2-(trifluoromethyl)morpholine;4-propan-2-yl-2-(trifluoromethyl)morpholine;1-propan-2-yl-4-(trifluoromethyl)piperidine;(3S)-1-propan-2-yl-3-(trifluoromethyl)piperidine;(3R)-1-propan-2-yl-3-(trifluoromethyl)piperidine;1-propan-2-yl-2-(trifluoromethyl)pyrrolidine;(2R)-1-propan-2-yl-2-(trifluoromethyl)pyrrolidine;(3S)-1-propan-2-yl-3-(trifluoromethyl)pyrrolidine;(3R)-1-propan-2-yl-3-(trifluoromethyl)pyrrolidine?
The canonical SMILES for 2,2-dimethyl-4-propan-2-ylmorpholine;(2R)-2-ethyl-4-propan-2-ylmorpholine;(2R)-2-methyl-4-propan-2-ylmorpholine;(2S)-2-methyl-4-propan-2-ylmorpholine;1-methyl-4-propan-2-ylpiperazine;3-methyl-1-propan-2-ylpiperazine;2-methyl-1-propan-2-ylpiperidine;4-methyl-1-propan-2-ylpiperidine;4-propan-2-ylmorpholine;bis(1-propan-2-ylpiperidine);(2R)-4-propan-2-yl-2-(trifluoromethyl)morpholine;(2S)-4-propan-2-yl-2-(trifluoromethyl)morpholine;4-propan-2-yl-2-(trifluoromethyl)morpholine;1-propan-2-yl-4-(trifluoromethyl)piperidine;(3S)-1-propan-2-yl-3-(trifluoromethyl)piperidine;(3R)-1-propan-2-yl-3-(trifluoromethyl)piperidine;1-propan-2-yl-2-(trifluoromethyl)pyrrolidine;(2R)-1-propan-2-yl-2-(trifluoromethyl)pyrrolidine;(3S)-1-propan-2-yl-3-(trifluoromethyl)pyrrolidine;(3R)-1-propan-2-yl-3-(trifluoromethyl)pyrrolidine is CC(C)N1CCC(C(F)(F)F)CC1.CC(C)N1CCCC1C(F)(F)F.CC(C)N1CCCCC1.CC(C)N1CCCCC1.CC(C)N1CCCCC1C.CC(C)N1CCC[C@@H](C(F)(F)F)C1.CC(C)N1CCC[C@@H]1C(F)(F)F.CC(C)N1CCC[C@H](C(F)(F)F)C1.CC(C)N1CCN(C)CC1.CC(C)N1CCOC(C(F)(F)F)C1.CC(C)N1CCOC(C)(C)C1.CC(C)N1CCOCC1.CC(C)N1CCO[C@@H](C(F)(F)F)C1.CC(C)N1CCO[C@@H](C)C1.CC(C)N1CCO[C@H](C(F)(F)F)C1.CC(C)N1CCO[C@H](C)C1.CC(C)N1CC[C@@H](C(F)(F)F)C1.CC(C)N1CC[C@H](C(F)(F)F)C1.CC1CCN(C(C)C)CC1.CC1CN(C(C)C)CCN1.CC[C@@H]1CN(C(C)C)CCO1.
What is the InChIKey of 2,2-dimethyl-4-propan-2-ylmorpholine;(2R)-2-ethyl-4-propan-2-ylmorpholine;(2R)-2-methyl-4-propan-2-ylmorpholine;(2S)-2-methyl-4-propan-2-ylmorpholine;1-methyl-4-propan-2-ylpiperazine;3-methyl-1-propan-2-ylpiperazine;2-methyl-1-propan-2-ylpiperidine;4-methyl-1-propan-2-ylpiperidine;4-propan-2-ylmorpholine;bis(1-propan-2-ylpiperidine);(2R)-4-propan-2-yl-2-(trifluoromethyl)morpholine;(2S)-4-propan-2-yl-2-(trifluoromethyl)morpholine;4-propan-2-yl-2-(trifluoromethyl)morpholine;1-propan-2-yl-4-(trifluoromethyl)piperidine;(3S)-1-propan-2-yl-3-(trifluoromethyl)piperidine;(3R)-1-propan-2-yl-3-(trifluoromethyl)piperidine;1-propan-2-yl-2-(trifluoromethyl)pyrrolidine;(2R)-1-propan-2-yl-2-(trifluoromethyl)pyrrolidine;(3S)-1-propan-2-yl-3-(trifluoromethyl)pyrrolidine;(3R)-1-propan-2-yl-3-(trifluoromethyl)pyrrolidine?
The InChIKey is VFQFHRGENZMKGO-BHIMRDMKSA-N. The full InChI is InChI=1S/3C9H16F3N.2C9H19NO.2C9H19N.3C8H14F3NO.4C8H14F3N.2C8H18N2.2C8H17NO.2C8H17N.C7H15NO/c1-7(2)13-5-3-8(4-6-13)9(10,11)12;2*1-7(2)13-5-3-4-8(6-13)9(10,11)12;1-8(2)10-5-6-11-9(3,4)7-10;1-4-9-7-10(8(2)3)5-6-11-9;1-8(2)10-6-4-9(3)5-7-10;1-8(2)10-7-5-4-6-9(10)3;3*1-6(2)12-3-4-13-7(5-12)8(9,10)11;2*1-6(2)12-4-3-7(5-12)8(9,10)11;2*1-6(2)12-5-3-4-7(12)8(9,10)11;1-8(2)10-6-4-9(3)5-7-10;1-7(2)10-5-4-9-8(3)6-10;2*1-7(2)9-4-5-10-8(3)6-9;2*1-8(2)9-6-4-3-5-7-9;1-7(2)8-3-5-9-6-4-8/h3*7-8H,3-6H2,1-2H3;8H,5-7H2,1-4H3;8-9H,4-7H2,1-3H3;2*8-9H,4-7H2,1-3H3;3*6-7H,3-5H2,1-2H3;4*6-7H,3-5H2,1-2H3;8H,4-7H2,1-3H3;7-9H,4-6H2,1-3H3;2*7-8H,4-6H2,1-3H3;2*8H,3-7H2,1-2H3;7H,3-6H2,1-2H3/t;2*8-;;9-;;;2*7-;;3*7-;;;;2*8-;;;/m.10.1..10.101...10.../s1.
What are the key properties of 2,2-dimethyl-4-propan-2-ylmorpholine;(2R)-2-ethyl-4-propan-2-ylmorpholine;(2R)-2-methyl-4-propan-2-ylmorpholine;(2S)-2-methyl-4-propan-2-ylmorpholine;1-methyl-4-propan-2-ylpiperazine;3-methyl-1-propan-2-ylpiperazine;2-methyl-1-propan-2-ylpiperidine;4-methyl-1-propan-2-ylpiperidine;4-propan-2-ylmorpholine;bis(1-propan-2-ylpiperidine);(2R)-4-propan-2-yl-2-(trifluoromethyl)morpholine;(2S)-4-propan-2-yl-2-(trifluoromethyl)morpholine;4-propan-2-yl-2-(trifluoromethyl)morpholine;1-propan-2-yl-4-(trifluoromethyl)piperidine;(3S)-1-propan-2-yl-3-(trifluoromethyl)piperidine;(3R)-1-propan-2-yl-3-(trifluoromethyl)piperidine;1-propan-2-yl-2-(trifluoromethyl)pyrrolidine;(2R)-1-propan-2-yl-2-(trifluoromethyl)pyrrolidine;(3S)-1-propan-2-yl-3-(trifluoromethyl)pyrrolidine;(3R)-1-propan-2-yl-3-(trifluoromethyl)pyrrolidine?
2,2-dimethyl-4-propan-2-ylmorpholine;(2R)-2-ethyl-4-propan-2-ylmorpholine;(2R)-2-methyl-4-propan-2-ylmorpholine;(2S)-2-methyl-4-propan-2-ylmorpholine;1-methyl-4-propan-2-ylpiperazine;3-methyl-1-propan-2-ylpiperazine;2-methyl-1-propan-2-ylpiperidine;4-methyl-1-propan-2-ylpiperidine;4-propan-2-ylmorpholine;bis(1-propan-2-ylpiperidine);(2R)-4-propan-2-yl-2-(trifluoromethyl)morpholine;(2S)-4-propan-2-yl-2-(trifluoromethyl)morpholine;4-propan-2-yl-2-(trifluoromethyl)morpholine;1-propan-2-yl-4-(trifluoromethyl)piperidine;(3S)-1-propan-2-yl-3-(trifluoromethyl)piperidine;(3R)-1-propan-2-yl-3-(trifluoromethyl)piperidine;1-propan-2-yl-2-(trifluoromethyl)pyrrolidine;(2R)-1-propan-2-yl-2-(trifluoromethyl)pyrrolidine;(3S)-1-propan-2-yl-3-(trifluoromethyl)pyrrolidine;(3R)-1-propan-2-yl-3-(trifluoromethyl)pyrrolidine has a molecular weight of 3453.73 g/mol, XLogP of 37.84, 22 rotatable bonds, 1 hydrogen bond donors, and 31 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-4-propan-2-ylmorpholine;(2R)-2-ethyl-4-propan-2-ylmorpholine;(2R)-2-methyl-4-propan-2-ylmorpholine;(2S)-2-methyl-4-propan-2-ylmorpholine;1-methyl-4-propan-2-ylpiperazine;3-methyl-1-propan-2-ylpiperazine;2-methyl-1-propan-2-ylpiperidine;4-methyl-1-propan-2-ylpiperidine;4-propan-2-ylmorpholine;bis(1-propan-2-ylpiperidine);(2R)-4-propan-2-yl-2-(trifluoromethyl)morpholine;(2S)-4-propan-2-yl-2-(trifluoromethyl)morpholine;4-propan-2-yl-2-(trifluoromethyl)morpholine;1-propan-2-yl-4-(trifluoromethyl)piperidine;(3S)-1-propan-2-yl-3-(trifluoromethyl)piperidine;(3R)-1-propan-2-yl-3-(trifluoromethyl)piperidine;1-propan-2-yl-2-(trifluoromethyl)pyrrolidine;(2R)-1-propan-2-yl-2-(trifluoromethyl)pyrrolidine;(3S)-1-propan-2-yl-3-(trifluoromethyl)pyrrolidine;(3R)-1-propan-2-yl-3-(trifluoromethyl)pyrrolidine is sourced from PubChem (CID 161285337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).