(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

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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).