3-(4-benzylcyclohexyl)-1-methylpiperidine;1,4-dimethyl-1,4-diazepane;1-methyl-3-(oxan-4-yl)piperidine;(3S)-1-methyl-3-(oxan-4-yl)piperidine;(3R)-1-methyl-3-(oxan-4-yl)piperidine;1-methyl-3-phenylazepane;1-methyl-4-phenylazepane;(3R)-1-methyl-3-phenylpyrrolidine;(3S)-1-methyl-3-phenylpyrrolidine;4-methyl-2-phenyl-1,4-thiazinane 1,1-dioxide;(2R)-4-methyl-2-phenylthiomorpholine;(2S)-4-methyl-2-phenylthiomorpholine;4-methyl-2-phenylthiomorpholine;1-methylpiperidin-3-ol;2-(1-methylpiperidin-3-yl)pyridine;2-[(3R)-1-methylpiperidin-3-yl]pyridine;2-[(3S)-1-methylpiperidin-3-yl]pyridine;4-(1-methylpyrrolidin-3-yl)-1,4-thiazepane;4-(1-methylpyrrolidin-3-yl)thiomorpholine;4-methyl-1,4-thiazinane 1,1-dioxide;4-methyl-1,4-thiazinane 1-oxide

C219H357N27O9S8 — CID 158433076

IUPAC3-(4-benzylcyclohexyl)-1-methylpiperidine;1,4-dimethyl-1,4-diazepane;1-methyl-3-(oxan-4-yl)piperidine;(3S)-1-methyl-3-(oxan-4-yl)piperidine;(3R)-1-methyl-3-(oxan-4-yl)piperidine;1-methyl-3-phenylazepane;1-methyl-4-phenylazepane;(3R)-1-methyl-3-phenylpyrrolidine;(3S)-1-methyl-3-phenylpyrrolidine;4-methyl-2-phenyl-1,4-thiazinane 1,1-dioxide;(2R)-4-methyl-2-phenylthiomorpholine;(2S)-4-methyl-2-phenylthiomorpholine;4-methyl-2-phenylthiomorpholine;1-methylpiperidin-3-ol;2-(1-methylpiperidin-3-yl)pyridine;2-[(3R)-1-methylpiperidin-3-yl]pyridine;2-[(3S)-1-methylpiperidin-3-yl]pyridine;4-(1-methylpyrrolidin-3-yl)-1,4-thiazepane;4-(1-methylpyrrolidin-3-yl)thiomorpholine;4-methyl-1,4-thiazinane 1,1-dioxide;4-methyl-1,4-thiazinane 1-oxide
SMILESCN1CCC(N2CCCSCC2)C1.CN1CCC(N2CCSCC2)C1.CN1CCCC(C2CCC(Cc3ccccc3)CC2)C1.CN1CCCC(C2CCOCC2)C1.CN1CCCC(O)C1.CN1CCCC(c2ccccc2)CC1.CN1CCCC(c2ccccn2)C1.CN1CCCCC(c2ccccc2)C1.CN1CCCN(C)CC1.CN1CCC[C@@H](C2CCOCC2)C1.CN1CCC[C@@H](c2ccccn2)C1.CN1CCC[C@H](C2CCOCC2)C1.CN1CCC[C@H](c2ccccn2)C1.CN1CCS(=O)(=O)C(c2ccccc2)C1.CN1CCS(=O)(=O)CC1.CN1CCS(=O)CC1.CN1CCSC(c2ccccc2)C1.CN1CCS[C@@H](c2ccccc2)C1.CN1CCS[C@H](c2ccccc2)C1.CN1CC[C@@H](c2ccccc2)C1.CN1CC[C@H](c2ccccc2)C1
InChIInChI=1S/C19H29N.2C13H19N.3C11H16N2.C11H15NO2S.3C11H21NO.3C11H15NS.2C11H15N.C10H20N2S.C9H18N2S.C7H16N2.C6H13NO.C5H11NO2S.C5H11NOS/c1-20-13-5-8-19(15-20)18-11-9-17(10-12-18)14-16-6-3-2-4-7-16;1-14-10-6-5-9-13(11-14)12-7-3-2-4-8-12;1-14-10-5-8-13(9-11-14)12-6-3-2-4-7-12;3*1-13-8-4-5-10(9-13)11-6-2-3-7-12-11;1-12-7-8-15(13,14)11(9-12)10-5-3-2-4-6-10;3*1-12-6-2-3-11(9-12)10-4-7-13-8-5-10;3*1-12-7-8-13-11(9-12)10-5-3-2-4-6-10;2*1-12-8-7-11(9-12)10-5-3-2-4-6-10;1-11-5-3-10(9-11)12-4-2-7-13-8-6-12;1-10-3-2-9(8-10)11-4-6-12-7-5-11;1-8-4-3-5-9(2)7-6-8;1-7-4-2-3-6(8)5-7;1-6-2-4-9(7,8)5-3-6;1-6-2-4-8(7)5-3-6/h2-4,6-7,17-19H,5,8-15H2,1H3;2-4,7-8,13H,5-6,9-11H2,1H3;2-4,6-7,13H,5,8-11H2,1H3;3*2-3,6-7,10H,4-5,8-9H2,1H3;2-6,11H,7-9H2,1H3;3*10-11H,2-9H2,1H3;3*2-6,11H,7-9H2,1H3;2*2-6,11H,7-9H2,1H3;10H,2-9H2,1H3;9H,2-8H2,1H3;3-7H2,1-2H3;6,8H,2-5H2,1H3;2-5H2,1H3;2-5H2,1H3/t;;;2*10-;;;2*11-;;2*11-;;2*11-;;;;;;/m...10..10.10.10....../s1
InChIKeyHBWXFEKAWFQQHQ-VWABYVNUSA-N
MW3768.98 g/mol
LogP34.83
Rot. Bonds19

About 3-(4-benzylcyclohexyl)-1-methylpiperidine;1,4-dimethyl-1,4-diazepane;1-methyl-3-(oxan-4-yl)piperidine;(3S)-1-methyl-3-(oxan-4-yl)piperidine;(3R)-1-methyl-3-(oxan-4-yl)piperidine;1-methyl-3-phenylazepane;1-methyl-4-phenylazepane;(3R)-1-methyl-3-phenylpyrrolidine;(3S)-1-methyl-3-phenylpyrrolidine;4-methyl-2-phenyl-1,4-thiazinane 1,1-dioxide;(2R)-4-methyl-2-phenylthiomorpholine;(2S)-4-methyl-2-phenylthiomorpholine;4-methyl-2-phenylthiomorpholine;1-methylpiperidin-3-ol;2-(1-methylpiperidin-3-yl)pyridine;2-[(3R)-1-methylpiperidin-3-yl]pyridine;2-[(3S)-1-methylpiperidin-3-yl]pyridine;4-(1-methylpyrrolidin-3-yl)-1,4-thiazepane;4-(1-methylpyrrolidin-3-yl)thiomorpholine;4-methyl-1,4-thiazinane 1,1-dioxide;4-methyl-1,4-thiazinane 1-oxide

3-(4-benzylcyclohexyl)-1-methylpiperidine;1,4-dimethyl-1,4-diazepane;1-methyl-3-(oxan-4-yl)piperidine;(3S)-1-methyl-3-(oxan-4-yl)piperidine;(3R)-1-methyl-3-(oxan-4-yl)piperidine;1-methyl-3-phenylazepane;1-methyl-4-phenylazepane;(3R)-1-methyl-3-phenylpyrrolidine;(3S)-1-methyl-3-phenylpyrrolidine;4-methyl-2-phenyl-1,4-thiazinane 1,1-dioxide;(2R)-4-methyl-2-phenylthiomorpholine;(2S)-4-methyl-2-phenylthiomorpholine;4-methyl-2-phenylthiomorpholine;1-methylpiperidin-3-ol;2-(1-methylpiperidin-3-yl)pyridine;2-[(3R)-1-methylpiperidin-3-yl]pyridine;2-[(3S)-1-methylpiperidin-3-yl]pyridine;4-(1-methylpyrrolidin-3-yl)-1,4-thiazepane;4-(1-methylpyrrolidin-3-yl)thiomorpholine;4-methyl-1,4-thiazinane 1,1-dioxide;4-methyl-1,4-thiazinane 1-oxide (PubChem CID 158433076) has the molecular formula C219H357N27O9S8 and a molecular weight of 3768.98 g/mol. Its IUPAC name is 3-(4-benzylcyclohexyl)-1-methylpiperidine;1,4-dimethyl-1,4-diazepane;1-methyl-3-(oxan-4-yl)piperidine;(3S)-1-methyl-3-(oxan-4-yl)piperidine;(3R)-1-methyl-3-(oxan-4-yl)piperidine;1-methyl-3-phenylazepane;1-methyl-4-phenylazepane;(3R)-1-methyl-3-phenylpyrrolidine;(3S)-1-methyl-3-phenylpyrrolidine;4-methyl-2-phenyl-1,4-thiazinane 1,1-dioxide;(2R)-4-methyl-2-phenylthiomorpholine;(2S)-4-methyl-2-phenylthiomorpholine;4-methyl-2-phenylthiomorpholine;1-methylpiperidin-3-ol;2-(1-methylpiperidin-3-yl)pyridine;2-[(3R)-1-methylpiperidin-3-yl]pyridine;2-[(3S)-1-methylpiperidin-3-yl]pyridine;4-(1-methylpyrrolidin-3-yl)-1,4-thiazepane;4-(1-methylpyrrolidin-3-yl)thiomorpholine;4-methyl-1,4-thiazinane 1,1-dioxide;4-methyl-1,4-thiazinane 1-oxide.

Molecular Properties

Compound Name3-(4-benzylcyclohexyl)-1-methylpiperidine;1,4-dimethyl-1,4-diazepane;1-methyl-3-(oxan-4-yl)piperidine;(3S)-1-methyl-3-(oxan-4-yl)piperidine;(3R)-1-methyl-3-(oxan-4-yl)piperidine;1-methyl-3-phenylazepane;1-methyl-4-phenylazepane;(3R)-1-methyl-3-phenylpyrrolidine;(3S)-1-methyl-3-phenylpyrrolidine;4-methyl-2-phenyl-1,4-thiazinane 1,1-dioxide;(2R)-4-methyl-2-phenylthiomorpholine;(2S)-4-methyl-2-phenylthiomorpholine;4-methyl-2-phenylthiomorpholine;1-methylpiperidin-3-ol;2-(1-methylpiperidin-3-yl)pyridine;2-[(3R)-1-methylpiperidin-3-yl]pyridine;2-[(3S)-1-methylpiperidin-3-yl]pyridine;4-(1-methylpyrrolidin-3-yl)-1,4-thiazepane;4-(1-methylpyrrolidin-3-yl)thiomorpholine;4-methyl-1,4-thiazinane 1,1-dioxide;4-methyl-1,4-thiazinane 1-oxide
PubChem CID158433076
Molecular FormulaC219H357N27O9S8
Molecular Weight3768.98 g/mol
Exact Mass3765.61
IUPAC Name3-(4-benzylcyclohexyl)-1-methylpiperidine;1,4-dimethyl-1,4-diazepane;1-methyl-3-(oxan-4-yl)piperidine;(3S)-1-methyl-3-(oxan-4-yl)piperidine;(3R)-1-methyl-3-(oxan-4-yl)piperidine;1-methyl-3-phenylazepane;1-methyl-4-phenylazepane;(3R)-1-methyl-3-phenylpyrrolidine;(3S)-1-methyl-3-phenylpyrrolidine;4-methyl-2-phenyl-1,4-thiazinane 1,1-dioxide;(2R)-4-methyl-2-phenylthiomorpholine;(2S)-4-methyl-2-phenylthiomorpholine;4-methyl-2-phenylthiomorpholine;1-methylpiperidin-3-ol;2-(1-methylpiperidin-3-yl)pyridine;2-[(3R)-1-methylpiperidin-3-yl]pyridine;2-[(3S)-1-methylpiperidin-3-yl]pyridine;4-(1-methylpyrrolidin-3-yl)-1,4-thiazepane;4-(1-methylpyrrolidin-3-yl)thiomorpholine;4-methyl-1,4-thiazinane 1,1-dioxide;4-methyl-1,4-thiazinane 1-oxide
SMILESCN1CCC(N2CCCSCC2)C1.CN1CCC(N2CCSCC2)C1.CN1CCCC(C2CCC(Cc3ccccc3)CC2)C1.CN1CCCC(C2CCOCC2)C1.CN1CCCC(O)C1.CN1CCCC(c2ccccc2)CC1.CN1CCCC(c2ccccn2)C1.CN1CCCCC(c2ccccc2)C1.CN1CCCN(C)CC1.CN1CCC[C@@H](C2CCOCC2)C1.CN1CCC[C@@H](c2ccccn2)C1.CN1CCC[C@H](C2CCOCC2)C1.CN1CCC[C@H](c2ccccn2)C1.CN1CCS(=O)(=O)C(c2ccccc2)C1.CN1CCS(=O)(=O)CC1.CN1CCS(=O)CC1.CN1CCSC(c2ccccc2)C1.CN1CCS[C@@H](c2ccccc2)C1.CN1CCS[C@H](c2ccccc2)C1.CN1CC[C@@H](c2ccccc2)C1.CN1CC[C@H](c2ccccc2)C1
InChIInChI=1S/C19H29N.2C13H19N.3C11H16N2.C11H15NO2S.3C11H21NO.3C11H15NS.2C11H15N.C10H20N2S.C9H18N2S.C7H16N2.C6H13NO.C5H11NO2S.C5H11NOS/c1-20-13-5-8-19(15-20)18-11-9-17(10-12-18)14-16-6-3-2-4-7-16;1-14-10-6-5-9-13(11-14)12-7-3-2-4-8-12;1-14-10-5-8-13(9-11-14)12-6-3-2-4-7-12;3*1-13-8-4-5-10(9-13)11-6-2-3-7-12-11;1-12-7-8-15(13,14)11(9-12)10-5-3-2-4-6-10;3*1-12-6-2-3-11(9-12)10-4-7-13-8-5-10;3*1-12-7-8-13-11(9-12)10-5-3-2-4-6-10;2*1-12-8-7-11(9-12)10-5-3-2-4-6-10;1-11-5-3-10(9-11)12-4-2-7-13-8-6-12;1-10-3-2-9(8-10)11-4-6-12-7-5-11;1-8-4-3-5-9(2)7-6-8;1-7-4-2-3-6(8)5-7;1-6-2-4-9(7,8)5-3-6;1-6-2-4-8(7)5-3-6/h2-4,6-7,17-19H,5,8-15H2,1H3;2-4,7-8,13H,5-6,9-11H2,1H3;2-4,6-7,13H,5,8-11H2,1H3;3*2-3,6-7,10H,4-5,8-9H2,1H3;2-6,11H,7-9H2,1H3;3*10-11H,2-9H2,1H3;3*2-6,11H,7-9H2,1H3;2*2-6,11H,7-9H2,1H3;10H,2-9H2,1H3;9H,2-8H2,1H3;3-7H2,1-2H3;6,8H,2-5H2,1H3;2-5H2,1H3;2-5H2,1H3/t;;;2*10-;;;2*11-;;2*11-;;2*11-;;;;;;/m...10..10.10.10....../s1
InChIKeyHBWXFEKAWFQQHQ-VWABYVNUSA-N
XLogP34.83
TPSA249.70 Ų
H-Bond Donors1
H-Bond Acceptors41
Rotatable Bonds19
Heavy Atoms263
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003768.98
LogP ≤ 534.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1041

Analyze 3-(4-benzylcyclohexyl)-1-methylpiperidine;1,4-dimethyl-1,4-diazepane;1-methyl-3-(oxan-4-yl)piperidine;(3S)-1-methyl-3-(oxan-4-yl)piperidine;(3R)-1-methyl-3-(oxan-4-yl)piperidine;1-methyl-3-phenylazepane;1-methyl-4-phenylazepane;(3R)-1-methyl-3-phenylpyrrolidine;(3S)-1-methyl-3-phenylpyrrolidine;4-methyl-2-phenyl-1,4-thiazinane 1,1-dioxide;(2R)-4-methyl-2-phenylthiomorpholine;(2S)-4-methyl-2-phenylthiomorpholine;4-methyl-2-phenylthiomorpholine;1-methylpiperidin-3-ol;2-(1-methylpiperidin-3-yl)pyridine;2-[(3R)-1-methylpiperidin-3-yl]pyridine;2-[(3S)-1-methylpiperidin-3-yl]pyridine;4-(1-methylpyrrolidin-3-yl)-1,4-thiazepane;4-(1-methylpyrrolidin-3-yl)thiomorpholine;4-methyl-1,4-thiazinane 1,1-dioxide;4-methyl-1,4-thiazinane 1-oxide with MolForge

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Launch Full Analysis

Related Compounds

4-methyl-1,4-oxazepane;4-methyl-2-phenyl-1,4-thiazepane;4-methyl-2-phenyl-1,4-thiazepane 1,1-dioxide
CID 142428227
2-[(3S)-1-(oxan-4-yl)piperidin-3-yl]pyridine
CID 95841777
bis(N-cyclopropyl-N-(4-phenylcyclohexyl)-4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzamide);N-cyclopropyl-N-[(1S,3R)-3-pyridin-2-ylcyclohexyl]-4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzamide;N-cyclopropyl-N-[(1R,3S)-3-pyridin-2-ylcyclohexyl]-4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzamide;N-cyclopropyl-N-(4-pyrrolidin-1-ylcyclohexyl)-4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzamide
CID 160529542
1-benzyl-4-methylpiperazine;4-benzyl-1-methylpiperidine;methane;1-methylazepane;1-methyl-2,3-dihydroindole;2-methyl-3,4-dihydro-1H-isoquinoline;1-methyl-3,4-dihydro-2H-quinoline;1-methyl-3-phenoxypiperidine;1-methyl-4-phenoxypiperidine;1-methyl-4-phenylpiperazine;1-methyl-3-phenylpiperidine;1-methyl-4-phenylpiperidine;1-methyl-3-phenylpyrrolidine;1-(4-methylpiperazin-1-yl)ethanone;1-methylpiperidine;(1-methylpiperidin-4-yl)-morpholin-4-ylmethanone;N-(1-methylpiperidin-3-yl)pyridin-4-amine;1-methylpyrrolidine;1-methyl-2,3,4,5-tetrahydro-1-benzazepine;2-methyl-1,3,4,5-tetrahydro-2-benzazepine;3-oxabicyclo[3.2.1]octan-8-yl(piperidin-4-yl)methanone;1-phenyl-1,4-diazepane
CID 161312202
4-benzyl-1-methylazepane
CID 123177845
1-methyl-3-phenylpyrrolidine;oxalic acid
CID 46907274
5-methylimidazolidine-2,4-dione;4-methylmorpholine;bis(2-methyloxane);4-methyloxane;2-methyloxolane;1-methylpiperidine;1-methylpyrrolidine;4-methyl-1,4-thiazinane 1,1-dioxide;4-methyl-1,4-thiazinane 1-oxide;3-methyl-1,3-thiazolidine-2,4-dione;4-methylthiomorpholine
CID 159806500
4-benzyl-1-methylpiperidine;ethane
CID 142009767
4-[(4-bromophenyl)methyl]-1-(1-methylpiperidin-4-yl)piperidine
CID 20689417
1-[3-[(4-pyridin-2-ylpiperidin-1-yl)methyl]piperidin-1-yl]ethanone
CID 54259387
acetic acid;[6-(1-methylpiperidin-3-yl)-3-pyridinyl]-morpholin-4-ylmethanone
CID 171687261
1-methyl-N-(pyridin-2-ylmethyl)azepan-4-amine
CID 65071092

Frequently Asked Questions

What is the IUPAC name of 3-(4-benzylcyclohexyl)-1-methylpiperidine;1,4-dimethyl-1,4-diazepane;1-methyl-3-(oxan-4-yl)piperidine;(3S)-1-methyl-3-(oxan-4-yl)piperidine;(3R)-1-methyl-3-(oxan-4-yl)piperidine;1-methyl-3-phenylazepane;1-methyl-4-phenylazepane;(3R)-1-methyl-3-phenylpyrrolidine;(3S)-1-methyl-3-phenylpyrrolidine;4-methyl-2-phenyl-1,4-thiazinane 1,1-dioxide;(2R)-4-methyl-2-phenylthiomorpholine;(2S)-4-methyl-2-phenylthiomorpholine;4-methyl-2-phenylthiomorpholine;1-methylpiperidin-3-ol;2-(1-methylpiperidin-3-yl)pyridine;2-[(3R)-1-methylpiperidin-3-yl]pyridine;2-[(3S)-1-methylpiperidin-3-yl]pyridine;4-(1-methylpyrrolidin-3-yl)-1,4-thiazepane;4-(1-methylpyrrolidin-3-yl)thiomorpholine;4-methyl-1,4-thiazinane 1,1-dioxide;4-methyl-1,4-thiazinane 1-oxide?
The IUPAC name of 3-(4-benzylcyclohexyl)-1-methylpiperidine;1,4-dimethyl-1,4-diazepane;1-methyl-3-(oxan-4-yl)piperidine;(3S)-1-methyl-3-(oxan-4-yl)piperidine;(3R)-1-methyl-3-(oxan-4-yl)piperidine;1-methyl-3-phenylazepane;1-methyl-4-phenylazepane;(3R)-1-methyl-3-phenylpyrrolidine;(3S)-1-methyl-3-phenylpyrrolidine;4-methyl-2-phenyl-1,4-thiazinane 1,1-dioxide;(2R)-4-methyl-2-phenylthiomorpholine;(2S)-4-methyl-2-phenylthiomorpholine;4-methyl-2-phenylthiomorpholine;1-methylpiperidin-3-ol;2-(1-methylpiperidin-3-yl)pyridine;2-[(3R)-1-methylpiperidin-3-yl]pyridine;2-[(3S)-1-methylpiperidin-3-yl]pyridine;4-(1-methylpyrrolidin-3-yl)-1,4-thiazepane;4-(1-methylpyrrolidin-3-yl)thiomorpholine;4-methyl-1,4-thiazinane 1,1-dioxide;4-methyl-1,4-thiazinane 1-oxide (CID 158433076) is 3-(4-benzylcyclohexyl)-1-methylpiperidine;1,4-dimethyl-1,4-diazepane;1-methyl-3-(oxan-4-yl)piperidine;(3S)-1-methyl-3-(oxan-4-yl)piperidine;(3R)-1-methyl-3-(oxan-4-yl)piperidine;1-methyl-3-phenylazepane;1-methyl-4-phenylazepane;(3R)-1-methyl-3-phenylpyrrolidine;(3S)-1-methyl-3-phenylpyrrolidine;4-methyl-2-phenyl-1,4-thiazinane 1,1-dioxide;(2R)-4-methyl-2-phenylthiomorpholine;(2S)-4-methyl-2-phenylthiomorpholine;4-methyl-2-phenylthiomorpholine;1-methylpiperidin-3-ol;2-(1-methylpiperidin-3-yl)pyridine;2-[(3R)-1-methylpiperidin-3-yl]pyridine;2-[(3S)-1-methylpiperidin-3-yl]pyridine;4-(1-methylpyrrolidin-3-yl)-1,4-thiazepane;4-(1-methylpyrrolidin-3-yl)thiomorpholine;4-methyl-1,4-thiazinane 1,1-dioxide;4-methyl-1,4-thiazinane 1-oxide.
What is the SMILES notation for 3-(4-benzylcyclohexyl)-1-methylpiperidine;1,4-dimethyl-1,4-diazepane;1-methyl-3-(oxan-4-yl)piperidine;(3S)-1-methyl-3-(oxan-4-yl)piperidine;(3R)-1-methyl-3-(oxan-4-yl)piperidine;1-methyl-3-phenylazepane;1-methyl-4-phenylazepane;(3R)-1-methyl-3-phenylpyrrolidine;(3S)-1-methyl-3-phenylpyrrolidine;4-methyl-2-phenyl-1,4-thiazinane 1,1-dioxide;(2R)-4-methyl-2-phenylthiomorpholine;(2S)-4-methyl-2-phenylthiomorpholine;4-methyl-2-phenylthiomorpholine;1-methylpiperidin-3-ol;2-(1-methylpiperidin-3-yl)pyridine;2-[(3R)-1-methylpiperidin-3-yl]pyridine;2-[(3S)-1-methylpiperidin-3-yl]pyridine;4-(1-methylpyrrolidin-3-yl)-1,4-thiazepane;4-(1-methylpyrrolidin-3-yl)thiomorpholine;4-methyl-1,4-thiazinane 1,1-dioxide;4-methyl-1,4-thiazinane 1-oxide?
The canonical SMILES for 3-(4-benzylcyclohexyl)-1-methylpiperidine;1,4-dimethyl-1,4-diazepane;1-methyl-3-(oxan-4-yl)piperidine;(3S)-1-methyl-3-(oxan-4-yl)piperidine;(3R)-1-methyl-3-(oxan-4-yl)piperidine;1-methyl-3-phenylazepane;1-methyl-4-phenylazepane;(3R)-1-methyl-3-phenylpyrrolidine;(3S)-1-methyl-3-phenylpyrrolidine;4-methyl-2-phenyl-1,4-thiazinane 1,1-dioxide;(2R)-4-methyl-2-phenylthiomorpholine;(2S)-4-methyl-2-phenylthiomorpholine;4-methyl-2-phenylthiomorpholine;1-methylpiperidin-3-ol;2-(1-methylpiperidin-3-yl)pyridine;2-[(3R)-1-methylpiperidin-3-yl]pyridine;2-[(3S)-1-methylpiperidin-3-yl]pyridine;4-(1-methylpyrrolidin-3-yl)-1,4-thiazepane;4-(1-methylpyrrolidin-3-yl)thiomorpholine;4-methyl-1,4-thiazinane 1,1-dioxide;4-methyl-1,4-thiazinane 1-oxide is CN1CCC(N2CCCSCC2)C1.CN1CCC(N2CCSCC2)C1.CN1CCCC(C2CCC(Cc3ccccc3)CC2)C1.CN1CCCC(C2CCOCC2)C1.CN1CCCC(O)C1.CN1CCCC(c2ccccc2)CC1.CN1CCCC(c2ccccn2)C1.CN1CCCCC(c2ccccc2)C1.CN1CCCN(C)CC1.CN1CCC[C@@H](C2CCOCC2)C1.CN1CCC[C@@H](c2ccccn2)C1.CN1CCC[C@H](C2CCOCC2)C1.CN1CCC[C@H](c2ccccn2)C1.CN1CCS(=O)(=O)C(c2ccccc2)C1.CN1CCS(=O)(=O)CC1.CN1CCS(=O)CC1.CN1CCSC(c2ccccc2)C1.CN1CCS[C@@H](c2ccccc2)C1.CN1CCS[C@H](c2ccccc2)C1.CN1CC[C@@H](c2ccccc2)C1.CN1CC[C@H](c2ccccc2)C1.
What is the InChIKey of 3-(4-benzylcyclohexyl)-1-methylpiperidine;1,4-dimethyl-1,4-diazepane;1-methyl-3-(oxan-4-yl)piperidine;(3S)-1-methyl-3-(oxan-4-yl)piperidine;(3R)-1-methyl-3-(oxan-4-yl)piperidine;1-methyl-3-phenylazepane;1-methyl-4-phenylazepane;(3R)-1-methyl-3-phenylpyrrolidine;(3S)-1-methyl-3-phenylpyrrolidine;4-methyl-2-phenyl-1,4-thiazinane 1,1-dioxide;(2R)-4-methyl-2-phenylthiomorpholine;(2S)-4-methyl-2-phenylthiomorpholine;4-methyl-2-phenylthiomorpholine;1-methylpiperidin-3-ol;2-(1-methylpiperidin-3-yl)pyridine;2-[(3R)-1-methylpiperidin-3-yl]pyridine;2-[(3S)-1-methylpiperidin-3-yl]pyridine;4-(1-methylpyrrolidin-3-yl)-1,4-thiazepane;4-(1-methylpyrrolidin-3-yl)thiomorpholine;4-methyl-1,4-thiazinane 1,1-dioxide;4-methyl-1,4-thiazinane 1-oxide?
The InChIKey is HBWXFEKAWFQQHQ-VWABYVNUSA-N. The full InChI is InChI=1S/C19H29N.2C13H19N.3C11H16N2.C11H15NO2S.3C11H21NO.3C11H15NS.2C11H15N.C10H20N2S.C9H18N2S.C7H16N2.C6H13NO.C5H11NO2S.C5H11NOS/c1-20-13-5-8-19(15-20)18-11-9-17(10-12-18)14-16-6-3-2-4-7-16;1-14-10-6-5-9-13(11-14)12-7-3-2-4-8-12;1-14-10-5-8-13(9-11-14)12-6-3-2-4-7-12;3*1-13-8-4-5-10(9-13)11-6-2-3-7-12-11;1-12-7-8-15(13,14)11(9-12)10-5-3-2-4-6-10;3*1-12-6-2-3-11(9-12)10-4-7-13-8-5-10;3*1-12-7-8-13-11(9-12)10-5-3-2-4-6-10;2*1-12-8-7-11(9-12)10-5-3-2-4-6-10;1-11-5-3-10(9-11)12-4-2-7-13-8-6-12;1-10-3-2-9(8-10)11-4-6-12-7-5-11;1-8-4-3-5-9(2)7-6-8;1-7-4-2-3-6(8)5-7;1-6-2-4-9(7,8)5-3-6;1-6-2-4-8(7)5-3-6/h2-4,6-7,17-19H,5,8-15H2,1H3;2-4,7-8,13H,5-6,9-11H2,1H3;2-4,6-7,13H,5,8-11H2,1H3;3*2-3,6-7,10H,4-5,8-9H2,1H3;2-6,11H,7-9H2,1H3;3*10-11H,2-9H2,1H3;3*2-6,11H,7-9H2,1H3;2*2-6,11H,7-9H2,1H3;10H,2-9H2,1H3;9H,2-8H2,1H3;3-7H2,1-2H3;6,8H,2-5H2,1H3;2-5H2,1H3;2-5H2,1H3/t;;;2*10-;;;2*11-;;2*11-;;2*11-;;;;;;/m...10..10.10.10....../s1.
What are the key properties of 3-(4-benzylcyclohexyl)-1-methylpiperidine;1,4-dimethyl-1,4-diazepane;1-methyl-3-(oxan-4-yl)piperidine;(3S)-1-methyl-3-(oxan-4-yl)piperidine;(3R)-1-methyl-3-(oxan-4-yl)piperidine;1-methyl-3-phenylazepane;1-methyl-4-phenylazepane;(3R)-1-methyl-3-phenylpyrrolidine;(3S)-1-methyl-3-phenylpyrrolidine;4-methyl-2-phenyl-1,4-thiazinane 1,1-dioxide;(2R)-4-methyl-2-phenylthiomorpholine;(2S)-4-methyl-2-phenylthiomorpholine;4-methyl-2-phenylthiomorpholine;1-methylpiperidin-3-ol;2-(1-methylpiperidin-3-yl)pyridine;2-[(3R)-1-methylpiperidin-3-yl]pyridine;2-[(3S)-1-methylpiperidin-3-yl]pyridine;4-(1-methylpyrrolidin-3-yl)-1,4-thiazepane;4-(1-methylpyrrolidin-3-yl)thiomorpholine;4-methyl-1,4-thiazinane 1,1-dioxide;4-methyl-1,4-thiazinane 1-oxide?
3-(4-benzylcyclohexyl)-1-methylpiperidine;1,4-dimethyl-1,4-diazepane;1-methyl-3-(oxan-4-yl)piperidine;(3S)-1-methyl-3-(oxan-4-yl)piperidine;(3R)-1-methyl-3-(oxan-4-yl)piperidine;1-methyl-3-phenylazepane;1-methyl-4-phenylazepane;(3R)-1-methyl-3-phenylpyrrolidine;(3S)-1-methyl-3-phenylpyrrolidine;4-methyl-2-phenyl-1,4-thiazinane 1,1-dioxide;(2R)-4-methyl-2-phenylthiomorpholine;(2S)-4-methyl-2-phenylthiomorpholine;4-methyl-2-phenylthiomorpholine;1-methylpiperidin-3-ol;2-(1-methylpiperidin-3-yl)pyridine;2-[(3R)-1-methylpiperidin-3-yl]pyridine;2-[(3S)-1-methylpiperidin-3-yl]pyridine;4-(1-methylpyrrolidin-3-yl)-1,4-thiazepane;4-(1-methylpyrrolidin-3-yl)thiomorpholine;4-methyl-1,4-thiazinane 1,1-dioxide;4-methyl-1,4-thiazinane 1-oxide has a molecular weight of 3768.98 g/mol, XLogP of 34.83, 19 rotatable bonds, 1 hydrogen bond donors, and 41 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-benzylcyclohexyl)-1-methylpiperidine;1,4-dimethyl-1,4-diazepane;1-methyl-3-(oxan-4-yl)piperidine;(3S)-1-methyl-3-(oxan-4-yl)piperidine;(3R)-1-methyl-3-(oxan-4-yl)piperidine;1-methyl-3-phenylazepane;1-methyl-4-phenylazepane;(3R)-1-methyl-3-phenylpyrrolidine;(3S)-1-methyl-3-phenylpyrrolidine;4-methyl-2-phenyl-1,4-thiazinane 1,1-dioxide;(2R)-4-methyl-2-phenylthiomorpholine;(2S)-4-methyl-2-phenylthiomorpholine;4-methyl-2-phenylthiomorpholine;1-methylpiperidin-3-ol;2-(1-methylpiperidin-3-yl)pyridine;2-[(3R)-1-methylpiperidin-3-yl]pyridine;2-[(3S)-1-methylpiperidin-3-yl]pyridine;4-(1-methylpyrrolidin-3-yl)-1,4-thiazepane;4-(1-methylpyrrolidin-3-yl)thiomorpholine;4-methyl-1,4-thiazinane 1,1-dioxide;4-methyl-1,4-thiazinane 1-oxide is sourced from PubChem (CID 158433076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).