2-(3-methylpiperidin-1-yl)-2-phenylcyclohexan-1-one

C18H25NO — CID 156552583

IUPAC2-(3-methylpiperidin-1-yl)-2-phenylcyclohexan-1-one
SMILESCC1CCCN(C2(c3ccccc3)CCCCC2=O)C1
InChIInChI=1S/C18H25NO/c1-15-8-7-13-19(14-15)18(12-6-5-11-17(18)20)16-9-3-2-4-10-16/h2-4,9-10,15H,5-8,11-14H2,1H3
InChIKeyJZYBHVNOPCHYIX-UHFFFAOYSA-N
MW271.40 g/mol
LogP3.76
Rot. Bonds2

About 2-(3-methylpiperidin-1-yl)-2-phenylcyclohexan-1-one

2-(3-methylpiperidin-1-yl)-2-phenylcyclohexan-1-one (PubChem CID 156552583) has the molecular formula C18H25NO and a molecular weight of 271.40 g/mol. Its IUPAC name is 2-(3-methylpiperidin-1-yl)-2-phenylcyclohexan-1-one.

Molecular Properties

Compound Name2-(3-methylpiperidin-1-yl)-2-phenylcyclohexan-1-one
PubChem CID156552583
Molecular FormulaC18H25NO
Molecular Weight271.40 g/mol
Exact Mass271.19
IUPAC Name2-(3-methylpiperidin-1-yl)-2-phenylcyclohexan-1-one
SMILESCC1CCCN(C2(c3ccccc3)CCCCC2=O)C1
InChIInChI=1S/C18H25NO/c1-15-8-7-13-19(14-15)18(12-6-5-11-17(18)20)16-9-3-2-4-10-16/h2-4,9-10,15H,5-8,11-14H2,1H3
InChIKeyJZYBHVNOPCHYIX-UHFFFAOYSA-N
XLogP3.76
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.40
LogP ≤ 53.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3,4-dimethylpiperidin-1-yl)-2-phenylcyclohexan-1-one
CID 156552578
2-(2-methylazetidin-1-yl)-2-phenylcyclohexan-1-one
CID 156538426
(2S)-2-(2,3-dimethylpiperidin-1-yl)-2-phenylcyclohexan-1-one
CID 156552528
6-[3-[1-(azetidin-1-yl)-2-oxocyclohexyl]phenyl]-2-(2-fluoroethylamino)-2-phenylcyclohexan-1-one
CID 156552572
(2R)-2-(methylamino)-2-phenylcyclohexan-1-one
CID 94478337
2-(methylamino)-2-phenylcyclohexan-1-one;hydrochloride
CID 18705340
[2-(3-methylpiperidin-1-yl)-3,4-dihydro-1H-naphthalen-2-yl]methanamine
CID 60796225
3-methyl-N'-[(1-phenylcyclopropyl)methyl]piperidine-1-carboximidamide;hydroiodide
CID 111038838
(3S)-3-methyl-1-[(1S,2R)-2-methyl-1-thiophen-2-ylcyclohexyl]piperidine
CID 10731255
3-methyl-1-(2-methyl-1-thiophen-2-ylcyclohexyl)piperidine
CID 10707699
(3R)-3-methyl-1-[(1S,2S)-2-methyl-1-thiophen-2-ylcyclohexyl]piperidine
CID 10660186
(4aS,8aR)-2-methyl-4a-phenyl-3,4,5,7,8,8a-hexahydro-1H-isoquinolin-6-one
CID 71398192

Frequently Asked Questions

What is the IUPAC name of 2-(3-methylpiperidin-1-yl)-2-phenylcyclohexan-1-one?
The IUPAC name of 2-(3-methylpiperidin-1-yl)-2-phenylcyclohexan-1-one (CID 156552583) is 2-(3-methylpiperidin-1-yl)-2-phenylcyclohexan-1-one.
What is the SMILES notation for 2-(3-methylpiperidin-1-yl)-2-phenylcyclohexan-1-one?
The canonical SMILES for 2-(3-methylpiperidin-1-yl)-2-phenylcyclohexan-1-one is CC1CCCN(C2(c3ccccc3)CCCCC2=O)C1.
What is the InChIKey of 2-(3-methylpiperidin-1-yl)-2-phenylcyclohexan-1-one?
The InChIKey is JZYBHVNOPCHYIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25NO/c1-15-8-7-13-19(14-15)18(12-6-5-11-17(18)20)16-9-3-2-4-10-16/h2-4,9-10,15H,5-8,11-14H2,1H3.
What are the key properties of 2-(3-methylpiperidin-1-yl)-2-phenylcyclohexan-1-one?
2-(3-methylpiperidin-1-yl)-2-phenylcyclohexan-1-one has a molecular weight of 271.40 g/mol, XLogP of 3.76, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methylpiperidin-1-yl)-2-phenylcyclohexan-1-one is sourced from PubChem (CID 156552583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).