2-(3,4-dimethylpiperidin-1-yl)-2-phenylcyclohexan-1-one

C19H27NO — CID 156552578

IUPAC2-(3,4-dimethylpiperidin-1-yl)-2-phenylcyclohexan-1-one
SMILESCC1CCN(C2(c3ccccc3)CCCCC2=O)CC1C
InChIInChI=1S/C19H27NO/c1-15-11-13-20(14-16(15)2)19(12-7-6-10-18(19)21)17-8-4-3-5-9-17/h3-5,8-9,15-16H,6-7,10-14H2,1-2H3
InChIKeyOIMGBMJWZFLESJ-UHFFFAOYSA-N
MW285.43 g/mol
LogP4.00
Rot. Bonds2

About 2-(3,4-dimethylpiperidin-1-yl)-2-phenylcyclohexan-1-one

2-(3,4-dimethylpiperidin-1-yl)-2-phenylcyclohexan-1-one (PubChem CID 156552578) has the molecular formula C19H27NO and a molecular weight of 285.43 g/mol. Its IUPAC name is 2-(3,4-dimethylpiperidin-1-yl)-2-phenylcyclohexan-1-one.

Molecular Properties

Compound Name2-(3,4-dimethylpiperidin-1-yl)-2-phenylcyclohexan-1-one
PubChem CID156552578
Molecular FormulaC19H27NO
Molecular Weight285.43 g/mol
Exact Mass285.21
IUPAC Name2-(3,4-dimethylpiperidin-1-yl)-2-phenylcyclohexan-1-one
SMILESCC1CCN(C2(c3ccccc3)CCCCC2=O)CC1C
InChIInChI=1S/C19H27NO/c1-15-11-13-20(14-16(15)2)19(12-7-6-10-18(19)21)17-8-4-3-5-9-17/h3-5,8-9,15-16H,6-7,10-14H2,1-2H3
InChIKeyOIMGBMJWZFLESJ-UHFFFAOYSA-N
XLogP4.00
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 ≤ 54.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3-methylpiperidin-1-yl)-2-phenylcyclohexan-1-one
CID 156552583
2-(2-methylazetidin-1-yl)-2-phenylcyclohexan-1-one
CID 156538426
(2S)-2-(2,3-dimethylpiperidin-1-yl)-2-phenylcyclohexan-1-one
CID 156552528
(2R)-2-(methylamino)-2-phenylcyclohexan-1-one
CID 94478337
2-(methylamino)-2-phenylcyclohexan-1-one;hydrochloride
CID 18705340
(4aS,8aS)-2-methyl-4a-phenyl-1,3,4,5,6,7,8,8a-octahydroisoquinoline
CID 22824819
6-[3-[1-(azetidin-1-yl)-2-oxocyclohexyl]phenyl]-2-(2-fluoroethylamino)-2-phenylcyclohexan-1-one
CID 156552572
(4aR,7aR)-2-methyl-4a-phenyl-3,4,5,6,7,7a-hexahydro-1H-cyclopenta[c]pyridine
CID 12884448
(2S)-2-[ethyl(methyl)amino]-2-phenylcyclohexan-1-one
CID 166169525
2-(1-bromoethenyl)-2-phenylcyclohexan-1-one
CID 102390499
2-(bromomethyl)-2-phenylcyclotridecan-1-one
CID 132609011
(1-methylpyrrolidin-3-yl) 1-phenylcyclopentane-1-carboxylate
CID 46213454

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dimethylpiperidin-1-yl)-2-phenylcyclohexan-1-one?
The IUPAC name of 2-(3,4-dimethylpiperidin-1-yl)-2-phenylcyclohexan-1-one (CID 156552578) is 2-(3,4-dimethylpiperidin-1-yl)-2-phenylcyclohexan-1-one.
What is the SMILES notation for 2-(3,4-dimethylpiperidin-1-yl)-2-phenylcyclohexan-1-one?
The canonical SMILES for 2-(3,4-dimethylpiperidin-1-yl)-2-phenylcyclohexan-1-one is CC1CCN(C2(c3ccccc3)CCCCC2=O)CC1C.
What is the InChIKey of 2-(3,4-dimethylpiperidin-1-yl)-2-phenylcyclohexan-1-one?
The InChIKey is OIMGBMJWZFLESJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27NO/c1-15-11-13-20(14-16(15)2)19(12-7-6-10-18(19)21)17-8-4-3-5-9-17/h3-5,8-9,15-16H,6-7,10-14H2,1-2H3.
What are the key properties of 2-(3,4-dimethylpiperidin-1-yl)-2-phenylcyclohexan-1-one?
2-(3,4-dimethylpiperidin-1-yl)-2-phenylcyclohexan-1-one has a molecular weight of 285.43 g/mol, XLogP of 4.00, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dimethylpiperidin-1-yl)-2-phenylcyclohexan-1-one is sourced from PubChem (CID 156552578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).