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

C25H30FNO2 — CID 170638263

IUPAC1-benzyl-3-[[4-(3-fluorophenyl)cyclohexyl]oxymethyl]piperidin-4-one
SMILESO=C1CCN(Cc2ccccc2)CC1COC1CCC(c2cccc(F)c2)CC1
InChIInChI=1S/C25H30FNO2/c26-23-8-4-7-21(15-23)20-9-11-24(12-10-20)29-18-22-17-27(14-13-25(22)28)16-19-5-2-1-3-6-19/h1-8,15,20,22,24H,9-14,16-18H2
InChIKeyKCPYOCLPLFIMCD-UHFFFAOYSA-N
MW395.52 g/mol
LogP4.96
Rot. Bonds6

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

1-benzyl-3-[[4-(3-fluorophenyl)cyclohexyl]oxymethyl]piperidin-4-one (PubChem CID 170638263) has the molecular formula C25H30FNO2 and a molecular weight of 395.52 g/mol. Its IUPAC name is 1-benzyl-3-[[4-(3-fluorophenyl)cyclohexyl]oxymethyl]piperidin-4-one.

Molecular Properties

Compound Name1-benzyl-3-[[4-(3-fluorophenyl)cyclohexyl]oxymethyl]piperidin-4-one
PubChem CID170638263
Molecular FormulaC25H30FNO2
Molecular Weight395.52 g/mol
Exact Mass395.23
IUPAC Name1-benzyl-3-[[4-(3-fluorophenyl)cyclohexyl]oxymethyl]piperidin-4-one
SMILESO=C1CCN(Cc2ccccc2)CC1COC1CCC(c2cccc(F)c2)CC1
InChIInChI=1S/C25H30FNO2/c26-23-8-4-7-21(15-23)20-9-11-24(12-10-20)29-18-22-17-27(14-13-25(22)28)16-19-5-2-1-3-6-19/h1-8,15,20,22,24H,9-14,16-18H2
InChIKeyKCPYOCLPLFIMCD-UHFFFAOYSA-N
XLogP4.96
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.52
LogP ≤ 54.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-benzyl-3-[(4-phenylcyclohexyl)oxymethyl]piperidin-4-one
CID 164553345
1-benzyl-4-(dimethylsulfamoylamino)-3-[[4-(3-fluorophenyl)cyclohexyl]oxymethyl]piperidine
CID 170638454
1-benzyl-3-phenylmethoxypiperidin-4-one
CID 15096753
cis-(2R,5S)-2-benzyl-5-(3-fluorophenyl)cyclohexan-1-one
CID 102147801
benzyl (2R,3S,5S)-3-amino-2-[[4-(3-fluorophenyl)cyclohexyl]oxymethyl]-5-(methoxymethyl)pyrrolidine-1-carboxylate
CID 166587280
1-benzyl-4-oxopiperidine-3-carbaldehyde
CID 88586790
N-[(1-benzylpiperidin-4-yl)methyl]-3-fluorobenzenesulfonamide
CID 16887794
(3R)-1-benzyl-3-bromopiperidin-4-one
CID 92975934
1-benzyl-3-methylpiperidin-4-one
CID 560965
[(4S)-4-amino-3-[[4-(3-fluorophenyl)cyclohexyl]oxymethyl]piperidin-1-yl]-[(3R)-oxolan-3-yl]methanone
CID 176822275
1-benzyl-4-[(3-fluorophenyl)methyl]piperazine
CID 764596
1-[(4-fluorophenyl)methyl]-3-phenylpyrrolidine
CID 60603464

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-3-[[4-(3-fluorophenyl)cyclohexyl]oxymethyl]piperidin-4-one?
The IUPAC name of 1-benzyl-3-[[4-(3-fluorophenyl)cyclohexyl]oxymethyl]piperidin-4-one (CID 170638263) is 1-benzyl-3-[[4-(3-fluorophenyl)cyclohexyl]oxymethyl]piperidin-4-one.
What is the SMILES notation for 1-benzyl-3-[[4-(3-fluorophenyl)cyclohexyl]oxymethyl]piperidin-4-one?
The canonical SMILES for 1-benzyl-3-[[4-(3-fluorophenyl)cyclohexyl]oxymethyl]piperidin-4-one is O=C1CCN(Cc2ccccc2)CC1COC1CCC(c2cccc(F)c2)CC1.
What is the InChIKey of 1-benzyl-3-[[4-(3-fluorophenyl)cyclohexyl]oxymethyl]piperidin-4-one?
The InChIKey is KCPYOCLPLFIMCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30FNO2/c26-23-8-4-7-21(15-23)20-9-11-24(12-10-20)29-18-22-17-27(14-13-25(22)28)16-19-5-2-1-3-6-19/h1-8,15,20,22,24H,9-14,16-18H2.
What are the key properties of 1-benzyl-3-[[4-(3-fluorophenyl)cyclohexyl]oxymethyl]piperidin-4-one?
1-benzyl-3-[[4-(3-fluorophenyl)cyclohexyl]oxymethyl]piperidin-4-one has a molecular weight of 395.52 g/mol, XLogP of 4.96, 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-(3-fluorophenyl)cyclohexyl]oxymethyl]piperidin-4-one is sourced from PubChem (CID 170638263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).