1-benzyl-3-[(4-phenylcyclohexyl)oxymethyl]piperidin-4-one

C25H31NO2 — CID 164553345

IUPAC1-benzyl-3-[(4-phenylcyclohexyl)oxymethyl]piperidin-4-one
SMILESO=C1CCN(Cc2ccccc2)CC1COC1CCC(c2ccccc2)CC1
InChIInChI=1S/C25H31NO2/c27-25-15-16-26(17-20-7-3-1-4-8-20)18-23(25)19-28-24-13-11-22(12-14-24)21-9-5-2-6-10-21/h1-10,22-24H,11-19H2
InChIKeyVSPHNWDROFHVBG-UHFFFAOYSA-N
MW377.53 g/mol
LogP4.82
Rot. Bonds6

About 1-benzyl-3-[(4-phenylcyclohexyl)oxymethyl]piperidin-4-one

1-benzyl-3-[(4-phenylcyclohexyl)oxymethyl]piperidin-4-one (PubChem CID 164553345) has the molecular formula C25H31NO2 and a molecular weight of 377.53 g/mol. Its IUPAC name is 1-benzyl-3-[(4-phenylcyclohexyl)oxymethyl]piperidin-4-one.

Molecular Properties

Compound Name1-benzyl-3-[(4-phenylcyclohexyl)oxymethyl]piperidin-4-one
PubChem CID164553345
Molecular FormulaC25H31NO2
Molecular Weight377.53 g/mol
Exact Mass377.24
IUPAC Name1-benzyl-3-[(4-phenylcyclohexyl)oxymethyl]piperidin-4-one
SMILESO=C1CCN(Cc2ccccc2)CC1COC1CCC(c2ccccc2)CC1
InChIInChI=1S/C25H31NO2/c27-25-15-16-26(17-20-7-3-1-4-8-20)18-23(25)19-28-24-13-11-22(12-14-24)21-9-5-2-6-10-21/h1-10,22-24H,11-19H2
InChIKeyVSPHNWDROFHVBG-UHFFFAOYSA-N
XLogP4.82
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.53
LogP ≤ 54.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-benzyl-3-[[4-(3-fluorophenyl)cyclohexyl]oxymethyl]piperidin-4-one
CID 170638263
1-benzyl-3-phenylmethoxypiperidin-4-one
CID 15096753
1-benzyl-4-oxopiperidine-3-carbaldehyde
CID 88586790
1-benzyl-3-methylpiperidin-4-one
CID 560965
(3R)-1-benzyl-3-bromopiperidin-4-one
CID 92975934
N-[3-[(4-phenylcyclohexyl)oxymethyl]-1-(pyridin-4-ylmethyl)piperidin-4-yl]methanesulfonamide
CID 167125966
N-[(4S)-3-[(4-phenylcyclohexyl)oxymethyl]-1-(pyridin-4-ylmethyl)piperidin-4-yl]methanesulfonamide
CID 164799394
N-[(2R,3S)-1-benzyl-5-oxo-2-[(4-phenylcyclohexyl)oxymethyl]pyrrolidin-3-yl]methanesulfonamide
CID 154622442
(4-phenylcyclohexyl)oxymethylbenzene
CID 11043723
2-methyl-5-[(4-phenylcyclohexyl)oxymethyl]-1-phenylmethoxypyrrolidine
CID 163392057
1-benzyl-3-(4-chlorophenyl)piperidin-4-one
CID 18001162
N-[(3R)-3-[(4-phenylcyclohexyl)oxymethyl]-1-(pyridin-3-ylmethyl)piperidin-4-yl]methanesulfonamide
CID 167125819

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-3-[(4-phenylcyclohexyl)oxymethyl]piperidin-4-one?
The IUPAC name of 1-benzyl-3-[(4-phenylcyclohexyl)oxymethyl]piperidin-4-one (CID 164553345) is 1-benzyl-3-[(4-phenylcyclohexyl)oxymethyl]piperidin-4-one.
What is the SMILES notation for 1-benzyl-3-[(4-phenylcyclohexyl)oxymethyl]piperidin-4-one?
The canonical SMILES for 1-benzyl-3-[(4-phenylcyclohexyl)oxymethyl]piperidin-4-one is O=C1CCN(Cc2ccccc2)CC1COC1CCC(c2ccccc2)CC1.
What is the InChIKey of 1-benzyl-3-[(4-phenylcyclohexyl)oxymethyl]piperidin-4-one?
The InChIKey is VSPHNWDROFHVBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H31NO2/c27-25-15-16-26(17-20-7-3-1-4-8-20)18-23(25)19-28-24-13-11-22(12-14-24)21-9-5-2-6-10-21/h1-10,22-24H,11-19H2.
What are the key properties of 1-benzyl-3-[(4-phenylcyclohexyl)oxymethyl]piperidin-4-one?
1-benzyl-3-[(4-phenylcyclohexyl)oxymethyl]piperidin-4-one has a molecular weight of 377.53 g/mol, XLogP of 4.82, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-3-[(4-phenylcyclohexyl)oxymethyl]piperidin-4-one is sourced from PubChem (CID 164553345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).