3,3-difluoro-1-methyl-4-propan-2-ylpiperidine;(4R)-3,3-difluoro-1-methyl-4-propan-2-ylpiperidine;(4S)-3,3-difluoro-1-methyl-4-propan-2-ylpiperidine;3-fluoro-1-methyl-4-propan-2-ylpiperidine;(3R,4S)-3-fluoro-1-methyl-4-propan-2-ylpiperidine;(3S,4S)-3-fluoro-1-methyl-4-propan-2-ylpiperidine;(3R,4R)-3-fluoro-1-methyl-4-propan-2-ylpiperidine;(3S,4R)-3-fluoro-1-methyl-4-propan-2-ylpiperidine;1-methyl-4-(3-methylbutyl)piperazine;2-methylpropane;1-methyl-4-propan-2-ylpiperazine;1-methyl-3-propan-2-ylpiperidine;1-methyl-4-propan-2-ylpiperidine;(3S)-1-methyl-3-propan-2-ylpiperidine;propane-1,2,3-triol;3-propan-2-ylazetidine;3-propan-2-yloxy-1-(2,2,2-trifluoroethyl)azetidine;bis(3-(3-propan-2-ylpiperidin-1-yl)propanenitrile);3-[(3S)-3-propan-2-ylpiperidin-1-yl]propanenitrile;3-[(3R)-3-propan-2-ylpiperidin-1-yl]propanenitrile;3-(4-propan-2-ylpiperidin-1-yl)propanenitrile;3-(3-propan-2-ylpyrrolidin-1-yl)propanenitrile;3-[(3S)-3-propan-2-ylpyrrolidin-1-yl]propanenitrile;3-[(3R)-3-propan-2-ylpyrrolidin-1-yl]propanenitrile

C223H437F14N33O4 — CID 167669242

IUPAC3,3-difluoro-1-methyl-4-propan-2-ylpiperidine;(4R)-3,3-difluoro-1-methyl-4-propan-2-ylpiperidine;(4S)-3,3-difluoro-1-methyl-4-propan-2-ylpiperidine;3-fluoro-1-methyl-4-propan-2-ylpiperidine;(3R,4S)-3-fluoro-1-methyl-4-propan-2-ylpiperidine;(3S,4S)-3-fluoro-1-methyl-4-propan-2-ylpiperidine;(3R,4R)-3-fluoro-1-methyl-4-propan-2-ylpiperidine;(3S,4R)-3-fluoro-1-methyl-4-propan-2-ylpiperidine;1-methyl-4-(3-methylbutyl)piperazine;2-methylpropane;1-methyl-4-propan-2-ylpiperazine;1-methyl-3-propan-2-ylpiperidine;1-methyl-4-propan-2-ylpiperidine;(3S)-1-methyl-3-propan-2-ylpiperidine;propane-1,2,3-triol;3-propan-2-ylazetidine;3-propan-2-yloxy-1-(2,2,2-trifluoroethyl)azetidine;bis(3-(3-propan-2-ylpiperidin-1-yl)propanenitrile);3-[(3S)-3-propan-2-ylpiperidin-1-yl]propanenitrile;3-[(3R)-3-propan-2-ylpiperidin-1-yl]propanenitrile;3-(4-propan-2-ylpiperidin-1-yl)propanenitrile;3-(3-propan-2-ylpyrrolidin-1-yl)propanenitrile;3-[(3S)-3-propan-2-ylpyrrolidin-1-yl]propanenitrile;3-[(3R)-3-propan-2-ylpyrrolidin-1-yl]propanenitrile
SMILESCC(C)C.CC(C)C1CCCN(C)C1.CC(C)C1CCCN(C)C1.CC(C)C1CCCN(CCC#N)C1.CC(C)C1CCCN(CCC#N)C1.CC(C)C1CCN(C)CC1.CC(C)C1CCN(C)CC1(F)F.CC(C)C1CCN(C)CC1F.CC(C)C1CCN(CCC#N)C1.CC(C)C1CCN(CCC#N)CC1.CC(C)C1CNC1.CC(C)CCN1CCN(C)CC1.CC(C)N1CCN(C)CC1.CC(C)OC1CN(CC(F)(F)F)C1.CC(C)[C@@H]1CCCN(CCC#N)C1.CC(C)[C@@H]1CCN(C)CC1(F)F.CC(C)[C@@H]1CCN(C)C[C@@H]1F.CC(C)[C@@H]1CCN(C)C[C@H]1F.CC(C)[C@@H]1CCN(CCC#N)C1.CC(C)[C@H]1CCCN(CCC#N)C1.CC(C)[C@H]1CCN(C)CC1(F)F.CC(C)[C@H]1CCN(C)C[C@@H]1F.CC(C)[C@H]1CCN(C)C[C@H]1F.CC(C)[C@H]1CCN(CCC#N)C1.OCC(O)CO
InChIInChI=1S/5C11H20N2.C10H22N2.3C10H18N2.3C9H17F2N.5C9H18FN.3C9H19N.C8H14F3NO.C8H18N2.C6H13N.C4H10.C3H8O3/c1-10(2)11-4-8-13(9-5-11)7-3-6-12;4*1-10(2)11-5-3-7-13(9-11)8-4-6-12;1-10(2)4-5-12-8-6-11(3)7-9-12;3*1-9(2)10-4-7-12(8-10)6-3-5-11;3*1-7(2)8-4-5-12(3)6-9(8,10)11;5*1-7(2)8-4-5-11(3)6-9(8)10;1-8(2)9-4-6-10(3)7-5-9;2*1-8(2)9-5-4-6-10(3)7-9;1-6(2)13-7-3-12(4-7)5-8(9,10)11;1-8(2)10-6-4-9(3)5-7-10;1-5(2)6-3-7-4-6;1-4(2)3;4-1-3(6)2-5/h5*10-11H,3-5,7-9H2,1-2H3;10H,4-9H2,1-3H3;3*9-10H,3-4,6-8H2,1-2H3;3*7-8H,4-6H2,1-3H3;5*7-9H,4-6H2,1-3H3;3*8-9H,4-7H2,1-3H3;6-7H,3-5H2,1-2H3;8H,4-7H2,1-3H3;5-7H,3-4H2,1-2H3;4H,1-3H3;3-6H,1-2H2/t;2*11-;;;;2*10-;;2*8-;;2*8-,9+;2*8-,9-;;;;;;;;;/m.10...10.10.1010........./s1
InChIKeyTVZUWWJUJRKMPY-KLOCQDEBSA-N
MW3911.15 g/mol
LogP43.71
Rot. Bonds45

About 3,3-difluoro-1-methyl-4-propan-2-ylpiperidine;(4R)-3,3-difluoro-1-methyl-4-propan-2-ylpiperidine;(4S)-3,3-difluoro-1-methyl-4-propan-2-ylpiperidine;3-fluoro-1-methyl-4-propan-2-ylpiperidine;(3R,4S)-3-fluoro-1-methyl-4-propan-2-ylpiperidine;(3S,4S)-3-fluoro-1-methyl-4-propan-2-ylpiperidine;(3R,4R)-3-fluoro-1-methyl-4-propan-2-ylpiperidine;(3S,4R)-3-fluoro-1-methyl-4-propan-2-ylpiperidine;1-methyl-4-(3-methylbutyl)piperazine;2-methylpropane;1-methyl-4-propan-2-ylpiperazine;1-methyl-3-propan-2-ylpiperidine;1-methyl-4-propan-2-ylpiperidine;(3S)-1-methyl-3-propan-2-ylpiperidine;propane-1,2,3-triol;3-propan-2-ylazetidine;3-propan-2-yloxy-1-(2,2,2-trifluoroethyl)azetidine;bis(3-(3-propan-2-ylpiperidin-1-yl)propanenitrile);3-[(3S)-3-propan-2-ylpiperidin-1-yl]propanenitrile;3-[(3R)-3-propan-2-ylpiperidin-1-yl]propanenitrile;3-(4-propan-2-ylpiperidin-1-yl)propanenitrile;3-(3-propan-2-ylpyrrolidin-1-yl)propanenitrile;3-[(3S)-3-propan-2-ylpyrrolidin-1-yl]propanenitrile;3-[(3R)-3-propan-2-ylpyrrolidin-1-yl]propanenitrile

3,3-difluoro-1-methyl-4-propan-2-ylpiperidine;(4R)-3,3-difluoro-1-methyl-4-propan-2-ylpiperidine;(4S)-3,3-difluoro-1-methyl-4-propan-2-ylpiperidine;3-fluoro-1-methyl-4-propan-2-ylpiperidine;(3R,4S)-3-fluoro-1-methyl-4-propan-2-ylpiperidine;(3S,4S)-3-fluoro-1-methyl-4-propan-2-ylpiperidine;(3R,4R)-3-fluoro-1-methyl-4-propan-2-ylpiperidine;(3S,4R)-3-fluoro-1-methyl-4-propan-2-ylpiperidine;1-methyl-4-(3-methylbutyl)piperazine;2-methylpropane;1-methyl-4-propan-2-ylpiperazine;1-methyl-3-propan-2-ylpiperidine;1-methyl-4-propan-2-ylpiperidine;(3S)-1-methyl-3-propan-2-ylpiperidine;propane-1,2,3-triol;3-propan-2-ylazetidine;3-propan-2-yloxy-1-(2,2,2-trifluoroethyl)azetidine;bis(3-(3-propan-2-ylpiperidin-1-yl)propanenitrile);3-[(3S)-3-propan-2-ylpiperidin-1-yl]propanenitrile;3-[(3R)-3-propan-2-ylpiperidin-1-yl]propanenitrile;3-(4-propan-2-ylpiperidin-1-yl)propanenitrile;3-(3-propan-2-ylpyrrolidin-1-yl)propanenitrile;3-[(3S)-3-propan-2-ylpyrrolidin-1-yl]propanenitrile;3-[(3R)-3-propan-2-ylpyrrolidin-1-yl]propanenitrile (PubChem CID 167669242) has the molecular formula C223H437F14N33O4 and a molecular weight of 3911.15 g/mol. Its IUPAC name is 3,3-difluoro-1-methyl-4-propan-2-ylpiperidine;(4R)-3,3-difluoro-1-methyl-4-propan-2-ylpiperidine;(4S)-3,3-difluoro-1-methyl-4-propan-2-ylpiperidine;3-fluoro-1-methyl-4-propan-2-ylpiperidine;(3R,4S)-3-fluoro-1-methyl-4-propan-2-ylpiperidine;(3S,4S)-3-fluoro-1-methyl-4-propan-2-ylpiperidine;(3R,4R)-3-fluoro-1-methyl-4-propan-2-ylpiperidine;(3S,4R)-3-fluoro-1-methyl-4-propan-2-ylpiperidine;1-methyl-4-(3-methylbutyl)piperazine;2-methylpropane;1-methyl-4-propan-2-ylpiperazine;1-methyl-3-propan-2-ylpiperidine;1-methyl-4-propan-2-ylpiperidine;(3S)-1-methyl-3-propan-2-ylpiperidine;propane-1,2,3-triol;3-propan-2-ylazetidine;3-propan-2-yloxy-1-(2,2,2-trifluoroethyl)azetidine;bis(3-(3-propan-2-ylpiperidin-1-yl)propanenitrile);3-[(3S)-3-propan-2-ylpiperidin-1-yl]propanenitrile;3-[(3R)-3-propan-2-ylpiperidin-1-yl]propanenitrile;3-(4-propan-2-ylpiperidin-1-yl)propanenitrile;3-(3-propan-2-ylpyrrolidin-1-yl)propanenitrile;3-[(3S)-3-propan-2-ylpyrrolidin-1-yl]propanenitrile;3-[(3R)-3-propan-2-ylpyrrolidin-1-yl]propanenitrile.

Molecular Properties

Compound Name3,3-difluoro-1-methyl-4-propan-2-ylpiperidine;(4R)-3,3-difluoro-1-methyl-4-propan-2-ylpiperidine;(4S)-3,3-difluoro-1-methyl-4-propan-2-ylpiperidine;3-fluoro-1-methyl-4-propan-2-ylpiperidine;(3R,4S)-3-fluoro-1-methyl-4-propan-2-ylpiperidine;(3S,4S)-3-fluoro-1-methyl-4-propan-2-ylpiperidine;(3R,4R)-3-fluoro-1-methyl-4-propan-2-ylpiperidine;(3S,4R)-3-fluoro-1-methyl-4-propan-2-ylpiperidine;1-methyl-4-(3-methylbutyl)piperazine;2-methylpropane;1-methyl-4-propan-2-ylpiperazine;1-methyl-3-propan-2-ylpiperidine;1-methyl-4-propan-2-ylpiperidine;(3S)-1-methyl-3-propan-2-ylpiperidine;propane-1,2,3-triol;3-propan-2-ylazetidine;3-propan-2-yloxy-1-(2,2,2-trifluoroethyl)azetidine;bis(3-(3-propan-2-ylpiperidin-1-yl)propanenitrile);3-[(3S)-3-propan-2-ylpiperidin-1-yl]propanenitrile;3-[(3R)-3-propan-2-ylpiperidin-1-yl]propanenitrile;3-(4-propan-2-ylpiperidin-1-yl)propanenitrile;3-(3-propan-2-ylpyrrolidin-1-yl)propanenitrile;3-[(3S)-3-propan-2-ylpyrrolidin-1-yl]propanenitrile;3-[(3R)-3-propan-2-ylpyrrolidin-1-yl]propanenitrile
PubChem CID167669242
Molecular FormulaC223H437F14N33O4
Molecular Weight3911.15 g/mol
Exact Mass3908.48
IUPAC Name3,3-difluoro-1-methyl-4-propan-2-ylpiperidine;(4R)-3,3-difluoro-1-methyl-4-propan-2-ylpiperidine;(4S)-3,3-difluoro-1-methyl-4-propan-2-ylpiperidine;3-fluoro-1-methyl-4-propan-2-ylpiperidine;(3R,4S)-3-fluoro-1-methyl-4-propan-2-ylpiperidine;(3S,4S)-3-fluoro-1-methyl-4-propan-2-ylpiperidine;(3R,4R)-3-fluoro-1-methyl-4-propan-2-ylpiperidine;(3S,4R)-3-fluoro-1-methyl-4-propan-2-ylpiperidine;1-methyl-4-(3-methylbutyl)piperazine;2-methylpropane;1-methyl-4-propan-2-ylpiperazine;1-methyl-3-propan-2-ylpiperidine;1-methyl-4-propan-2-ylpiperidine;(3S)-1-methyl-3-propan-2-ylpiperidine;propane-1,2,3-triol;3-propan-2-ylazetidine;3-propan-2-yloxy-1-(2,2,2-trifluoroethyl)azetidine;bis(3-(3-propan-2-ylpiperidin-1-yl)propanenitrile);3-[(3S)-3-propan-2-ylpiperidin-1-yl]propanenitrile;3-[(3R)-3-propan-2-ylpiperidin-1-yl]propanenitrile;3-(4-propan-2-ylpiperidin-1-yl)propanenitrile;3-(3-propan-2-ylpyrrolidin-1-yl)propanenitrile;3-[(3S)-3-propan-2-ylpyrrolidin-1-yl]propanenitrile;3-[(3R)-3-propan-2-ylpyrrolidin-1-yl]propanenitrile
SMILESCC(C)C.CC(C)C1CCCN(C)C1.CC(C)C1CCCN(C)C1.CC(C)C1CCCN(CCC#N)C1.CC(C)C1CCCN(CCC#N)C1.CC(C)C1CCN(C)CC1.CC(C)C1CCN(C)CC1(F)F.CC(C)C1CCN(C)CC1F.CC(C)C1CCN(CCC#N)C1.CC(C)C1CCN(CCC#N)CC1.CC(C)C1CNC1.CC(C)CCN1CCN(C)CC1.CC(C)N1CCN(C)CC1.CC(C)OC1CN(CC(F)(F)F)C1.CC(C)[C@@H]1CCCN(CCC#N)C1.CC(C)[C@@H]1CCN(C)CC1(F)F.CC(C)[C@@H]1CCN(C)C[C@@H]1F.CC(C)[C@@H]1CCN(C)C[C@H]1F.CC(C)[C@@H]1CCN(CCC#N)C1.CC(C)[C@H]1CCCN(CCC#N)C1.CC(C)[C@H]1CCN(C)CC1(F)F.CC(C)[C@H]1CCN(C)C[C@@H]1F.CC(C)[C@H]1CCN(C)C[C@H]1F.CC(C)[C@H]1CCN(CCC#N)C1.OCC(O)CO
InChIInChI=1S/5C11H20N2.C10H22N2.3C10H18N2.3C9H17F2N.5C9H18FN.3C9H19N.C8H14F3NO.C8H18N2.C6H13N.C4H10.C3H8O3/c1-10(2)11-4-8-13(9-5-11)7-3-6-12;4*1-10(2)11-5-3-7-13(9-11)8-4-6-12;1-10(2)4-5-12-8-6-11(3)7-9-12;3*1-9(2)10-4-7-12(8-10)6-3-5-11;3*1-7(2)8-4-5-12(3)6-9(8,10)11;5*1-7(2)8-4-5-11(3)6-9(8)10;1-8(2)9-4-6-10(3)7-5-9;2*1-8(2)9-5-4-6-10(3)7-9;1-6(2)13-7-3-12(4-7)5-8(9,10)11;1-8(2)10-6-4-9(3)5-7-10;1-5(2)6-3-7-4-6;1-4(2)3;4-1-3(6)2-5/h5*10-11H,3-5,7-9H2,1-2H3;10H,4-9H2,1-3H3;3*9-10H,3-4,6-8H2,1-2H3;3*7-8H,4-6H2,1-3H3;5*7-9H,4-6H2,1-3H3;3*8-9H,4-7H2,1-3H3;6-7H,3-5H2,1-2H3;8H,4-7H2,1-3H3;5-7H,3-4H2,1-2H3;4H,1-3H3;3-6H,1-2H2/t;2*11-;;;;2*10-;;2*8-;;2*8-,9+;2*8-,9-;;;;;;;;;/m.10...10.10.1010........./s1
InChIKeyTVZUWWJUJRKMPY-KLOCQDEBSA-N
XLogP43.71
TPSA350.03 Ų
H-Bond Donors4
H-Bond Acceptors37
Rotatable Bonds45
Heavy Atoms274
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003911.15
LogP ≤ 543.71
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1037

Analyze 3,3-difluoro-1-methyl-4-propan-2-ylpiperidine;(4R)-3,3-difluoro-1-methyl-4-propan-2-ylpiperidine;(4S)-3,3-difluoro-1-methyl-4-propan-2-ylpiperidine;3-fluoro-1-methyl-4-propan-2-ylpiperidine;(3R,4S)-3-fluoro-1-methyl-4-propan-2-ylpiperidine;(3S,4S)-3-fluoro-1-methyl-4-propan-2-ylpiperidine;(3R,4R)-3-fluoro-1-methyl-4-propan-2-ylpiperidine;(3S,4R)-3-fluoro-1-methyl-4-propan-2-ylpiperidine;1-methyl-4-(3-methylbutyl)piperazine;2-methylpropane;1-methyl-4-propan-2-ylpiperazine;1-methyl-3-propan-2-ylpiperidine;1-methyl-4-propan-2-ylpiperidine;(3S)-1-methyl-3-propan-2-ylpiperidine;propane-1,2,3-triol;3-propan-2-ylazetidine;3-propan-2-yloxy-1-(2,2,2-trifluoroethyl)azetidine;bis(3-(3-propan-2-ylpiperidin-1-yl)propanenitrile);3-[(3S)-3-propan-2-ylpiperidin-1-yl]propanenitrile;3-[(3R)-3-propan-2-ylpiperidin-1-yl]propanenitrile;3-(4-propan-2-ylpiperidin-1-yl)propanenitrile;3-(3-propan-2-ylpyrrolidin-1-yl)propanenitrile;3-[(3S)-3-propan-2-ylpyrrolidin-1-yl]propanenitrile;3-[(3R)-3-propan-2-ylpyrrolidin-1-yl]propanenitrile with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3,3-difluoro-1-methyl-4-propan-2-ylpiperidine;(4R)-3,3-difluoro-1-methyl-4-propan-2-ylpiperidine;(4S)-3,3-difluoro-1-methyl-4-propan-2-ylpiperidine;3-fluoro-1-methyl-4-propan-2-ylpiperidine;(3R,4S)-3-fluoro-1-methyl-4-propan-2-ylpiperidine;(3S,4S)-3-fluoro-1-methyl-4-propan-2-ylpiperidine;(3R,4R)-3-fluoro-1-methyl-4-propan-2-ylpiperidine;(3S,4R)-3-fluoro-1-methyl-4-propan-2-ylpiperidine;1-methyl-4-(3-methylbutyl)piperazine;2-methylpropane;1-methyl-4-propan-2-ylpiperazine;1-methyl-3-propan-2-ylpiperidine;1-methyl-4-propan-2-ylpiperidine;(3S)-1-methyl-3-propan-2-ylpiperidine;propane-1,2,3-triol;3-propan-2-ylazetidine;3-propan-2-yloxy-1-(2,2,2-trifluoroethyl)azetidine;bis(3-(3-propan-2-ylpiperidin-1-yl)propanenitrile);3-[(3S)-3-propan-2-ylpiperidin-1-yl]propanenitrile;3-[(3R)-3-propan-2-ylpiperidin-1-yl]propanenitrile;3-(4-propan-2-ylpiperidin-1-yl)propanenitrile;3-(3-propan-2-ylpyrrolidin-1-yl)propanenitrile;3-[(3S)-3-propan-2-ylpyrrolidin-1-yl]propanenitrile;3-[(3R)-3-propan-2-ylpyrrolidin-1-yl]propanenitrile?
The IUPAC name of 3,3-difluoro-1-methyl-4-propan-2-ylpiperidine;(4R)-3,3-difluoro-1-methyl-4-propan-2-ylpiperidine;(4S)-3,3-difluoro-1-methyl-4-propan-2-ylpiperidine;3-fluoro-1-methyl-4-propan-2-ylpiperidine;(3R,4S)-3-fluoro-1-methyl-4-propan-2-ylpiperidine;(3S,4S)-3-fluoro-1-methyl-4-propan-2-ylpiperidine;(3R,4R)-3-fluoro-1-methyl-4-propan-2-ylpiperidine;(3S,4R)-3-fluoro-1-methyl-4-propan-2-ylpiperidine;1-methyl-4-(3-methylbutyl)piperazine;2-methylpropane;1-methyl-4-propan-2-ylpiperazine;1-methyl-3-propan-2-ylpiperidine;1-methyl-4-propan-2-ylpiperidine;(3S)-1-methyl-3-propan-2-ylpiperidine;propane-1,2,3-triol;3-propan-2-ylazetidine;3-propan-2-yloxy-1-(2,2,2-trifluoroethyl)azetidine;bis(3-(3-propan-2-ylpiperidin-1-yl)propanenitrile);3-[(3S)-3-propan-2-ylpiperidin-1-yl]propanenitrile;3-[(3R)-3-propan-2-ylpiperidin-1-yl]propanenitrile;3-(4-propan-2-ylpiperidin-1-yl)propanenitrile;3-(3-propan-2-ylpyrrolidin-1-yl)propanenitrile;3-[(3S)-3-propan-2-ylpyrrolidin-1-yl]propanenitrile;3-[(3R)-3-propan-2-ylpyrrolidin-1-yl]propanenitrile (CID 167669242) is 3,3-difluoro-1-methyl-4-propan-2-ylpiperidine;(4R)-3,3-difluoro-1-methyl-4-propan-2-ylpiperidine;(4S)-3,3-difluoro-1-methyl-4-propan-2-ylpiperidine;3-fluoro-1-methyl-4-propan-2-ylpiperidine;(3R,4S)-3-fluoro-1-methyl-4-propan-2-ylpiperidine;(3S,4S)-3-fluoro-1-methyl-4-propan-2-ylpiperidine;(3R,4R)-3-fluoro-1-methyl-4-propan-2-ylpiperidine;(3S,4R)-3-fluoro-1-methyl-4-propan-2-ylpiperidine;1-methyl-4-(3-methylbutyl)piperazine;2-methylpropane;1-methyl-4-propan-2-ylpiperazine;1-methyl-3-propan-2-ylpiperidine;1-methyl-4-propan-2-ylpiperidine;(3S)-1-methyl-3-propan-2-ylpiperidine;propane-1,2,3-triol;3-propan-2-ylazetidine;3-propan-2-yloxy-1-(2,2,2-trifluoroethyl)azetidine;bis(3-(3-propan-2-ylpiperidin-1-yl)propanenitrile);3-[(3S)-3-propan-2-ylpiperidin-1-yl]propanenitrile;3-[(3R)-3-propan-2-ylpiperidin-1-yl]propanenitrile;3-(4-propan-2-ylpiperidin-1-yl)propanenitrile;3-(3-propan-2-ylpyrrolidin-1-yl)propanenitrile;3-[(3S)-3-propan-2-ylpyrrolidin-1-yl]propanenitrile;3-[(3R)-3-propan-2-ylpyrrolidin-1-yl]propanenitrile.
What is the SMILES notation for 3,3-difluoro-1-methyl-4-propan-2-ylpiperidine;(4R)-3,3-difluoro-1-methyl-4-propan-2-ylpiperidine;(4S)-3,3-difluoro-1-methyl-4-propan-2-ylpiperidine;3-fluoro-1-methyl-4-propan-2-ylpiperidine;(3R,4S)-3-fluoro-1-methyl-4-propan-2-ylpiperidine;(3S,4S)-3-fluoro-1-methyl-4-propan-2-ylpiperidine;(3R,4R)-3-fluoro-1-methyl-4-propan-2-ylpiperidine;(3S,4R)-3-fluoro-1-methyl-4-propan-2-ylpiperidine;1-methyl-4-(3-methylbutyl)piperazine;2-methylpropane;1-methyl-4-propan-2-ylpiperazine;1-methyl-3-propan-2-ylpiperidine;1-methyl-4-propan-2-ylpiperidine;(3S)-1-methyl-3-propan-2-ylpiperidine;propane-1,2,3-triol;3-propan-2-ylazetidine;3-propan-2-yloxy-1-(2,2,2-trifluoroethyl)azetidine;bis(3-(3-propan-2-ylpiperidin-1-yl)propanenitrile);3-[(3S)-3-propan-2-ylpiperidin-1-yl]propanenitrile;3-[(3R)-3-propan-2-ylpiperidin-1-yl]propanenitrile;3-(4-propan-2-ylpiperidin-1-yl)propanenitrile;3-(3-propan-2-ylpyrrolidin-1-yl)propanenitrile;3-[(3S)-3-propan-2-ylpyrrolidin-1-yl]propanenitrile;3-[(3R)-3-propan-2-ylpyrrolidin-1-yl]propanenitrile?
The canonical SMILES for 3,3-difluoro-1-methyl-4-propan-2-ylpiperidine;(4R)-3,3-difluoro-1-methyl-4-propan-2-ylpiperidine;(4S)-3,3-difluoro-1-methyl-4-propan-2-ylpiperidine;3-fluoro-1-methyl-4-propan-2-ylpiperidine;(3R,4S)-3-fluoro-1-methyl-4-propan-2-ylpiperidine;(3S,4S)-3-fluoro-1-methyl-4-propan-2-ylpiperidine;(3R,4R)-3-fluoro-1-methyl-4-propan-2-ylpiperidine;(3S,4R)-3-fluoro-1-methyl-4-propan-2-ylpiperidine;1-methyl-4-(3-methylbutyl)piperazine;2-methylpropane;1-methyl-4-propan-2-ylpiperazine;1-methyl-3-propan-2-ylpiperidine;1-methyl-4-propan-2-ylpiperidine;(3S)-1-methyl-3-propan-2-ylpiperidine;propane-1,2,3-triol;3-propan-2-ylazetidine;3-propan-2-yloxy-1-(2,2,2-trifluoroethyl)azetidine;bis(3-(3-propan-2-ylpiperidin-1-yl)propanenitrile);3-[(3S)-3-propan-2-ylpiperidin-1-yl]propanenitrile;3-[(3R)-3-propan-2-ylpiperidin-1-yl]propanenitrile;3-(4-propan-2-ylpiperidin-1-yl)propanenitrile;3-(3-propan-2-ylpyrrolidin-1-yl)propanenitrile;3-[(3S)-3-propan-2-ylpyrrolidin-1-yl]propanenitrile;3-[(3R)-3-propan-2-ylpyrrolidin-1-yl]propanenitrile is CC(C)C.CC(C)C1CCCN(C)C1.CC(C)C1CCCN(C)C1.CC(C)C1CCCN(CCC#N)C1.CC(C)C1CCCN(CCC#N)C1.CC(C)C1CCN(C)CC1.CC(C)C1CCN(C)CC1(F)F.CC(C)C1CCN(C)CC1F.CC(C)C1CCN(CCC#N)C1.CC(C)C1CCN(CCC#N)CC1.CC(C)C1CNC1.CC(C)CCN1CCN(C)CC1.CC(C)N1CCN(C)CC1.CC(C)OC1CN(CC(F)(F)F)C1.CC(C)[C@@H]1CCCN(CCC#N)C1.CC(C)[C@@H]1CCN(C)CC1(F)F.CC(C)[C@@H]1CCN(C)C[C@@H]1F.CC(C)[C@@H]1CCN(C)C[C@H]1F.CC(C)[C@@H]1CCN(CCC#N)C1.CC(C)[C@H]1CCCN(CCC#N)C1.CC(C)[C@H]1CCN(C)CC1(F)F.CC(C)[C@H]1CCN(C)C[C@@H]1F.CC(C)[C@H]1CCN(C)C[C@H]1F.CC(C)[C@H]1CCN(CCC#N)C1.OCC(O)CO.
What is the InChIKey of 3,3-difluoro-1-methyl-4-propan-2-ylpiperidine;(4R)-3,3-difluoro-1-methyl-4-propan-2-ylpiperidine;(4S)-3,3-difluoro-1-methyl-4-propan-2-ylpiperidine;3-fluoro-1-methyl-4-propan-2-ylpiperidine;(3R,4S)-3-fluoro-1-methyl-4-propan-2-ylpiperidine;(3S,4S)-3-fluoro-1-methyl-4-propan-2-ylpiperidine;(3R,4R)-3-fluoro-1-methyl-4-propan-2-ylpiperidine;(3S,4R)-3-fluoro-1-methyl-4-propan-2-ylpiperidine;1-methyl-4-(3-methylbutyl)piperazine;2-methylpropane;1-methyl-4-propan-2-ylpiperazine;1-methyl-3-propan-2-ylpiperidine;1-methyl-4-propan-2-ylpiperidine;(3S)-1-methyl-3-propan-2-ylpiperidine;propane-1,2,3-triol;3-propan-2-ylazetidine;3-propan-2-yloxy-1-(2,2,2-trifluoroethyl)azetidine;bis(3-(3-propan-2-ylpiperidin-1-yl)propanenitrile);3-[(3S)-3-propan-2-ylpiperidin-1-yl]propanenitrile;3-[(3R)-3-propan-2-ylpiperidin-1-yl]propanenitrile;3-(4-propan-2-ylpiperidin-1-yl)propanenitrile;3-(3-propan-2-ylpyrrolidin-1-yl)propanenitrile;3-[(3S)-3-propan-2-ylpyrrolidin-1-yl]propanenitrile;3-[(3R)-3-propan-2-ylpyrrolidin-1-yl]propanenitrile?
The InChIKey is TVZUWWJUJRKMPY-KLOCQDEBSA-N. The full InChI is InChI=1S/5C11H20N2.C10H22N2.3C10H18N2.3C9H17F2N.5C9H18FN.3C9H19N.C8H14F3NO.C8H18N2.C6H13N.C4H10.C3H8O3/c1-10(2)11-4-8-13(9-5-11)7-3-6-12;4*1-10(2)11-5-3-7-13(9-11)8-4-6-12;1-10(2)4-5-12-8-6-11(3)7-9-12;3*1-9(2)10-4-7-12(8-10)6-3-5-11;3*1-7(2)8-4-5-12(3)6-9(8,10)11;5*1-7(2)8-4-5-11(3)6-9(8)10;1-8(2)9-4-6-10(3)7-5-9;2*1-8(2)9-5-4-6-10(3)7-9;1-6(2)13-7-3-12(4-7)5-8(9,10)11;1-8(2)10-6-4-9(3)5-7-10;1-5(2)6-3-7-4-6;1-4(2)3;4-1-3(6)2-5/h5*10-11H,3-5,7-9H2,1-2H3;10H,4-9H2,1-3H3;3*9-10H,3-4,6-8H2,1-2H3;3*7-8H,4-6H2,1-3H3;5*7-9H,4-6H2,1-3H3;3*8-9H,4-7H2,1-3H3;6-7H,3-5H2,1-2H3;8H,4-7H2,1-3H3;5-7H,3-4H2,1-2H3;4H,1-3H3;3-6H,1-2H2/t;2*11-;;;;2*10-;;2*8-;;2*8-,9+;2*8-,9-;;;;;;;;;/m.10...10.10.1010........./s1.
What are the key properties of 3,3-difluoro-1-methyl-4-propan-2-ylpiperidine;(4R)-3,3-difluoro-1-methyl-4-propan-2-ylpiperidine;(4S)-3,3-difluoro-1-methyl-4-propan-2-ylpiperidine;3-fluoro-1-methyl-4-propan-2-ylpiperidine;(3R,4S)-3-fluoro-1-methyl-4-propan-2-ylpiperidine;(3S,4S)-3-fluoro-1-methyl-4-propan-2-ylpiperidine;(3R,4R)-3-fluoro-1-methyl-4-propan-2-ylpiperidine;(3S,4R)-3-fluoro-1-methyl-4-propan-2-ylpiperidine;1-methyl-4-(3-methylbutyl)piperazine;2-methylpropane;1-methyl-4-propan-2-ylpiperazine;1-methyl-3-propan-2-ylpiperidine;1-methyl-4-propan-2-ylpiperidine;(3S)-1-methyl-3-propan-2-ylpiperidine;propane-1,2,3-triol;3-propan-2-ylazetidine;3-propan-2-yloxy-1-(2,2,2-trifluoroethyl)azetidine;bis(3-(3-propan-2-ylpiperidin-1-yl)propanenitrile);3-[(3S)-3-propan-2-ylpiperidin-1-yl]propanenitrile;3-[(3R)-3-propan-2-ylpiperidin-1-yl]propanenitrile;3-(4-propan-2-ylpiperidin-1-yl)propanenitrile;3-(3-propan-2-ylpyrrolidin-1-yl)propanenitrile;3-[(3S)-3-propan-2-ylpyrrolidin-1-yl]propanenitrile;3-[(3R)-3-propan-2-ylpyrrolidin-1-yl]propanenitrile?
3,3-difluoro-1-methyl-4-propan-2-ylpiperidine;(4R)-3,3-difluoro-1-methyl-4-propan-2-ylpiperidine;(4S)-3,3-difluoro-1-methyl-4-propan-2-ylpiperidine;3-fluoro-1-methyl-4-propan-2-ylpiperidine;(3R,4S)-3-fluoro-1-methyl-4-propan-2-ylpiperidine;(3S,4S)-3-fluoro-1-methyl-4-propan-2-ylpiperidine;(3R,4R)-3-fluoro-1-methyl-4-propan-2-ylpiperidine;(3S,4R)-3-fluoro-1-methyl-4-propan-2-ylpiperidine;1-methyl-4-(3-methylbutyl)piperazine;2-methylpropane;1-methyl-4-propan-2-ylpiperazine;1-methyl-3-propan-2-ylpiperidine;1-methyl-4-propan-2-ylpiperidine;(3S)-1-methyl-3-propan-2-ylpiperidine;propane-1,2,3-triol;3-propan-2-ylazetidine;3-propan-2-yloxy-1-(2,2,2-trifluoroethyl)azetidine;bis(3-(3-propan-2-ylpiperidin-1-yl)propanenitrile);3-[(3S)-3-propan-2-ylpiperidin-1-yl]propanenitrile;3-[(3R)-3-propan-2-ylpiperidin-1-yl]propanenitrile;3-(4-propan-2-ylpiperidin-1-yl)propanenitrile;3-(3-propan-2-ylpyrrolidin-1-yl)propanenitrile;3-[(3S)-3-propan-2-ylpyrrolidin-1-yl]propanenitrile;3-[(3R)-3-propan-2-ylpyrrolidin-1-yl]propanenitrile has a molecular weight of 3911.15 g/mol, XLogP of 43.71, 45 rotatable bonds, 4 hydrogen bond donors, and 37 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-difluoro-1-methyl-4-propan-2-ylpiperidine;(4R)-3,3-difluoro-1-methyl-4-propan-2-ylpiperidine;(4S)-3,3-difluoro-1-methyl-4-propan-2-ylpiperidine;3-fluoro-1-methyl-4-propan-2-ylpiperidine;(3R,4S)-3-fluoro-1-methyl-4-propan-2-ylpiperidine;(3S,4S)-3-fluoro-1-methyl-4-propan-2-ylpiperidine;(3R,4R)-3-fluoro-1-methyl-4-propan-2-ylpiperidine;(3S,4R)-3-fluoro-1-methyl-4-propan-2-ylpiperidine;1-methyl-4-(3-methylbutyl)piperazine;2-methylpropane;1-methyl-4-propan-2-ylpiperazine;1-methyl-3-propan-2-ylpiperidine;1-methyl-4-propan-2-ylpiperidine;(3S)-1-methyl-3-propan-2-ylpiperidine;propane-1,2,3-triol;3-propan-2-ylazetidine;3-propan-2-yloxy-1-(2,2,2-trifluoroethyl)azetidine;bis(3-(3-propan-2-ylpiperidin-1-yl)propanenitrile);3-[(3S)-3-propan-2-ylpiperidin-1-yl]propanenitrile;3-[(3R)-3-propan-2-ylpiperidin-1-yl]propanenitrile;3-(4-propan-2-ylpiperidin-1-yl)propanenitrile;3-(3-propan-2-ylpyrrolidin-1-yl)propanenitrile;3-[(3S)-3-propan-2-ylpyrrolidin-1-yl]propanenitrile;3-[(3R)-3-propan-2-ylpyrrolidin-1-yl]propanenitrile is sourced from PubChem (CID 167669242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).