(2S)-2-(2,3-dimethylpiperidin-1-yl)-2-phenylcyclohexan-1-one

C19H27NO — CID 156552528

IUPAC(2S)-2-(2,3-dimethylpiperidin-1-yl)-2-phenylcyclohexan-1-one
SMILESCC1CCCN([C@]2(c3ccccc3)CCCCC2=O)C1C
InChIInChI=1S/C19H27NO/c1-15-9-8-14-20(16(15)2)19(13-7-6-12-18(19)21)17-10-4-3-5-11-17/h3-5,10-11,15-16H,6-9,12-14H2,1-2H3/t15?,16?,19-/m0/s1
InChIKeyQPSKEHMIUJVFMG-RJYAGPCLSA-N
MW285.43 g/mol
LogP4.15
Rot. Bonds2

About (2S)-2-(2,3-dimethylpiperidin-1-yl)-2-phenylcyclohexan-1-one

(2S)-2-(2,3-dimethylpiperidin-1-yl)-2-phenylcyclohexan-1-one (PubChem CID 156552528) has the molecular formula C19H27NO and a molecular weight of 285.43 g/mol. Its IUPAC name is (2S)-2-(2,3-dimethylpiperidin-1-yl)-2-phenylcyclohexan-1-one.

Molecular Properties

Compound Name(2S)-2-(2,3-dimethylpiperidin-1-yl)-2-phenylcyclohexan-1-one
PubChem CID156552528
Molecular FormulaC19H27NO
Molecular Weight285.43 g/mol
Exact Mass285.21
IUPAC Name(2S)-2-(2,3-dimethylpiperidin-1-yl)-2-phenylcyclohexan-1-one
SMILESCC1CCCN([C@]2(c3ccccc3)CCCCC2=O)C1C
InChIInChI=1S/C19H27NO/c1-15-9-8-14-20(16(15)2)19(13-7-6-12-18(19)21)17-10-4-3-5-11-17/h3-5,10-11,15-16H,6-9,12-14H2,1-2H3/t15?,16?,19-/m0/s1
InChIKeyQPSKEHMIUJVFMG-RJYAGPCLSA-N
XLogP4.15
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.43
LogP ≤ 54.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze (2S)-2-(2,3-dimethylpiperidin-1-yl)-2-phenylcyclohexan-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(2-methylazetidin-1-yl)-2-phenylcyclohexan-1-one
CID 156538426
2-(3,4-dimethylpiperidin-1-yl)-2-phenylcyclohexan-1-one
CID 156552578
2-(3-methylpiperidin-1-yl)-2-phenylcyclohexan-1-one
CID 156552583
(2R)-2-(methylamino)-2-phenylcyclohexan-1-one
CID 94478337
1-(1-phenyl-3,4-dihydro-2H-naphthalen-1-yl)piperidin-2-ol
CID 91369270
2-(methylamino)-2-phenylcyclohexan-1-one;hydrochloride
CID 18705340
3-phenyl-1,2,5,6,7,8-hexahydropyrrolizin-3-ol
CID 59036221
2-methyl-1-(1-phenylcyclohexyl)azetidine
CID 156552462
(2S)-2-hydroxy-2-phenylcyclopentan-1-one
CID 101445109
(2S)-2-[ethyl(methyl)amino]-2-phenylcyclohexan-1-one
CID 166169525
(5S,6R,7R)-5-methyl-7-phenyl-1-azabicyclo[4.2.0]octan-7-ol
CID 171767911
(7aR)-1-methyl-3,3-diphenyl-5,6,7,7a-tetrahydro-1H-pyrrolo[1,2-c][1,3]oxazole
CID 69019014

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(2,3-dimethylpiperidin-1-yl)-2-phenylcyclohexan-1-one?
The IUPAC name of (2S)-2-(2,3-dimethylpiperidin-1-yl)-2-phenylcyclohexan-1-one (CID 156552528) is (2S)-2-(2,3-dimethylpiperidin-1-yl)-2-phenylcyclohexan-1-one.
What is the SMILES notation for (2S)-2-(2,3-dimethylpiperidin-1-yl)-2-phenylcyclohexan-1-one?
The canonical SMILES for (2S)-2-(2,3-dimethylpiperidin-1-yl)-2-phenylcyclohexan-1-one is CC1CCCN([C@]2(c3ccccc3)CCCCC2=O)C1C.
What is the InChIKey of (2S)-2-(2,3-dimethylpiperidin-1-yl)-2-phenylcyclohexan-1-one?
The InChIKey is QPSKEHMIUJVFMG-RJYAGPCLSA-N. The full InChI is InChI=1S/C19H27NO/c1-15-9-8-14-20(16(15)2)19(13-7-6-12-18(19)21)17-10-4-3-5-11-17/h3-5,10-11,15-16H,6-9,12-14H2,1-2H3/t15?,16?,19-/m0/s1.
What are the key properties of (2S)-2-(2,3-dimethylpiperidin-1-yl)-2-phenylcyclohexan-1-one?
(2S)-2-(2,3-dimethylpiperidin-1-yl)-2-phenylcyclohexan-1-one has a molecular weight of 285.43 g/mol, XLogP of 4.15, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(2,3-dimethylpiperidin-1-yl)-2-phenylcyclohexan-1-one is sourced from PubChem (CID 156552528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).