1-benzyl-3-phenylmethoxypiperidin-4-one

C19H21NO2 — CID 15096753

IUPAC1-benzyl-3-phenylmethoxypiperidin-4-one
SMILESO=C1CCN(Cc2ccccc2)CC1OCc1ccccc1
InChIInChI=1S/C19H21NO2/c21-18-11-12-20(13-16-7-3-1-4-8-16)14-19(18)22-15-17-9-5-2-6-10-17/h1-10,19H,11-15H2
InChIKeyQDJFRCGKVPSSSR-UHFFFAOYSA-N
MW295.38 g/mol
LogP3.05
Rot. Bonds5

About 1-benzyl-3-phenylmethoxypiperidin-4-one

1-benzyl-3-phenylmethoxypiperidin-4-one (PubChem CID 15096753) has the molecular formula C19H21NO2 and a molecular weight of 295.38 g/mol. Its IUPAC name is 1-benzyl-3-phenylmethoxypiperidin-4-one.

Molecular Properties

Compound Name1-benzyl-3-phenylmethoxypiperidin-4-one
PubChem CID15096753
Molecular FormulaC19H21NO2
Molecular Weight295.38 g/mol
Exact Mass295.16
IUPAC Name1-benzyl-3-phenylmethoxypiperidin-4-one
SMILESO=C1CCN(Cc2ccccc2)CC1OCc1ccccc1
InChIInChI=1S/C19H21NO2/c21-18-11-12-20(13-16-7-3-1-4-8-16)14-19(18)22-15-17-9-5-2-6-10-17/h1-10,19H,11-15H2
InChIKeyQDJFRCGKVPSSSR-UHFFFAOYSA-N
XLogP3.05
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.38
LogP ≤ 53.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(3R)-1-benzyl-3-bromopiperidin-4-one
CID 92975934
1-benzyl-3-methylpiperidin-4-one
CID 560965
1-benzyl-4-oxopiperidine-3-carbaldehyde
CID 88586790
4,4-dideuterio-2-phenylmethoxycyclopentan-1-one
CID 171581931
(3R)-3-benzhydryl-1-benzylpiperidin-4-one
CID 86328824
ethane;2-phenylmethoxycyclobutan-1-one
CID 143382516
1-benzyl-3-[(4-phenylcyclohexyl)oxymethyl]piperidin-4-one
CID 164553345
3-benzhydryl-1-benzylpiperidin-4-one;hydrochloride
CID 56668292
ethane;methyl 1-benzyl-4-oxopiperidine-3-carboxylate
CID 142959894
1-benzyl-3-(4-chlorophenyl)piperidin-4-one
CID 18001162
1-benzyl-4-phenylmethoxypiperidine
CID 15892976
(3R)-3-phenylmethoxyoxan-4-one
CID 59445816

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-3-phenylmethoxypiperidin-4-one?
The IUPAC name of 1-benzyl-3-phenylmethoxypiperidin-4-one (CID 15096753) is 1-benzyl-3-phenylmethoxypiperidin-4-one.
What is the SMILES notation for 1-benzyl-3-phenylmethoxypiperidin-4-one?
The canonical SMILES for 1-benzyl-3-phenylmethoxypiperidin-4-one is O=C1CCN(Cc2ccccc2)CC1OCc1ccccc1.
What is the InChIKey of 1-benzyl-3-phenylmethoxypiperidin-4-one?
The InChIKey is QDJFRCGKVPSSSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NO2/c21-18-11-12-20(13-16-7-3-1-4-8-16)14-19(18)22-15-17-9-5-2-6-10-17/h1-10,19H,11-15H2.
What are the key properties of 1-benzyl-3-phenylmethoxypiperidin-4-one?
1-benzyl-3-phenylmethoxypiperidin-4-one has a molecular weight of 295.38 g/mol, XLogP of 3.05, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-3-phenylmethoxypiperidin-4-one is sourced from PubChem (CID 15096753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).