4-phenyl-4-piperidin-1-ylcyclohexan-1-one

C17H23NO — CID 13306756

IUPAC4-phenyl-4-piperidin-1-ylcyclohexan-1-one
SMILESO=C1CCC(c2ccccc2)(N2CCCCC2)CC1
InChIInChI=1S/C17H23NO/c19-16-9-11-17(12-10-16,15-7-3-1-4-8-15)18-13-5-2-6-14-18/h1,3-4,7-8H,2,5-6,9-14H2
InChIKeyHBVUBDNRZWJTSB-UHFFFAOYSA-N
MW257.38 g/mol
LogP3.51
Rot. Bonds2

About 4-phenyl-4-piperidin-1-ylcyclohexan-1-one

4-phenyl-4-piperidin-1-ylcyclohexan-1-one (PubChem CID 13306756) has the molecular formula C17H23NO and a molecular weight of 257.38 g/mol. Its IUPAC name is 4-phenyl-4-piperidin-1-ylcyclohexan-1-one.

Molecular Properties

Compound Name4-phenyl-4-piperidin-1-ylcyclohexan-1-one
PubChem CID13306756
Molecular FormulaC17H23NO
Molecular Weight257.38 g/mol
Exact Mass257.18
IUPAC Name4-phenyl-4-piperidin-1-ylcyclohexan-1-one
SMILESO=C1CCC(c2ccccc2)(N2CCCCC2)CC1
InChIInChI=1S/C17H23NO/c19-16-9-11-17(12-10-16,15-7-3-1-4-8-15)18-13-5-2-6-14-18/h1,3-4,7-8H,2,5-6,9-14H2
InChIKeyHBVUBDNRZWJTSB-UHFFFAOYSA-N
XLogP3.51
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.38
LogP ≤ 53.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

Phencyclidine
CID 6468
Phencyclidine Hydrochloride
CID 9795678
Norpipanone
CID 22391
Dipipanone
CID 13331
(1-Phenethyl-piperidin-4-yl)-phenyl-methanone
CID 10379653
1-Benzyl-4-(4-oxo-4-phenylbutyl)piperidine Hydrochloride
CID 14553361
3-Methyl-2,6-diphenylpiperidin-4-one
CID 568924
4-Phenyl-1-(phenylmethyl)-4-piperidinecarboxaldehyde
CID 96727
3-Piperidinone, 1-(phenylmethyl)-
CID 96650
9-Benzyl-9-azabicyclo[3.3.1]nonan-3-one
CID 419531
2,6-Di(phenyl)-4-piperidone
CID 2828708
2'-Oxo-pce
CID 132989542

Frequently Asked Questions

What is the IUPAC name of 4-phenyl-4-piperidin-1-ylcyclohexan-1-one?
The IUPAC name of 4-phenyl-4-piperidin-1-ylcyclohexan-1-one (CID 13306756) is 4-phenyl-4-piperidin-1-ylcyclohexan-1-one.
What is the SMILES notation for 4-phenyl-4-piperidin-1-ylcyclohexan-1-one?
The canonical SMILES for 4-phenyl-4-piperidin-1-ylcyclohexan-1-one is O=C1CCC(c2ccccc2)(N2CCCCC2)CC1.
What is the InChIKey of 4-phenyl-4-piperidin-1-ylcyclohexan-1-one?
The InChIKey is HBVUBDNRZWJTSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NO/c19-16-9-11-17(12-10-16,15-7-3-1-4-8-15)18-13-5-2-6-14-18/h1,3-4,7-8H,2,5-6,9-14H2.
What are the key properties of 4-phenyl-4-piperidin-1-ylcyclohexan-1-one?
4-phenyl-4-piperidin-1-ylcyclohexan-1-one has a molecular weight of 257.38 g/mol, XLogP of 3.51, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenyl-4-piperidin-1-ylcyclohexan-1-one is sourced from PubChem (CID 13306756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).