1-ethyl-3,3-diphenylpiperidin-4-one

C19H21NO — CID 13440408

IUPAC1-ethyl-3,3-diphenylpiperidin-4-one
SMILESCCN1CCC(=O)C(c2ccccc2)(c2ccccc2)C1
InChIInChI=1S/C19H21NO/c1-2-20-14-13-18(21)19(15-20,16-9-5-3-6-10-16)17-11-7-4-8-12-17/h3-12H,2,13-15H2,1H3
InChIKeyVWDKWIJMIMZEFR-UHFFFAOYSA-N
MW279.38 g/mol
LogP3.27
Rot. Bonds3

About 1-ethyl-3,3-diphenylpiperidin-4-one

1-ethyl-3,3-diphenylpiperidin-4-one (PubChem CID 13440408) has the molecular formula C19H21NO and a molecular weight of 279.38 g/mol. Its IUPAC name is 1-ethyl-3,3-diphenylpiperidin-4-one.

Molecular Properties

Compound Name1-ethyl-3,3-diphenylpiperidin-4-one
PubChem CID13440408
Molecular FormulaC19H21NO
Molecular Weight279.38 g/mol
Exact Mass279.16
IUPAC Name1-ethyl-3,3-diphenylpiperidin-4-one
SMILESCCN1CCC(=O)C(c2ccccc2)(c2ccccc2)C1
InChIInChI=1S/C19H21NO/c1-2-20-14-13-18(21)19(15-20,16-9-5-3-6-10-16)17-11-7-4-8-12-17/h3-12H,2,13-15H2,1H3
InChIKeyVWDKWIJMIMZEFR-UHFFFAOYSA-N
XLogP3.27
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.38
LogP ≤ 53.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-ethyl-3-methyl-3-phenylazetidine
CID 23641
1-benzyl-3,3-dimethoxypiperidin-4-one
CID 66780961
1-ethyl-4-methyl-4-phenylpiperidine
CID 70451148
8a-benzyl-2-ethyl-3,4,7,8-tetrahydro-1H-isoquinolin-6-one
CID 59214126
3,3,5,5-tetraphenylcyclopentane-1,2-dione
CID 141043374
1-benzyl-3,3-dimethylpiperidin-4-one;1-benzylpiperidin-4-one
CID 159724836
1-benzyl-3,3-difluoropiperidin-4-one;hydrate
CID 138393770
3-[2-(2-bromo-3-methylphenyl)ethyl]-1-ethyl-4-oxopiperidine-3-carboxylic acid
CID 90766739
1,3-diethyl-3-phenylazetidin-2-one
CID 137321499
(4S,5S)-1,3-diethyl-4,5-dihydroxy-4,5-diphenylimidazolidin-2-one
CID 789461
4-benzhydrylidene-1-ethylpiperidine
CID 19370284
1-diphenylphosphoryl-4-ethylpiperazine
CID 20795265

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3,3-diphenylpiperidin-4-one?
The IUPAC name of 1-ethyl-3,3-diphenylpiperidin-4-one (CID 13440408) is 1-ethyl-3,3-diphenylpiperidin-4-one.
What is the SMILES notation for 1-ethyl-3,3-diphenylpiperidin-4-one?
The canonical SMILES for 1-ethyl-3,3-diphenylpiperidin-4-one is CCN1CCC(=O)C(c2ccccc2)(c2ccccc2)C1.
What is the InChIKey of 1-ethyl-3,3-diphenylpiperidin-4-one?
The InChIKey is VWDKWIJMIMZEFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NO/c1-2-20-14-13-18(21)19(15-20,16-9-5-3-6-10-16)17-11-7-4-8-12-17/h3-12H,2,13-15H2,1H3.
What are the key properties of 1-ethyl-3,3-diphenylpiperidin-4-one?
1-ethyl-3,3-diphenylpiperidin-4-one has a molecular weight of 279.38 g/mol, XLogP of 3.27, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3,3-diphenylpiperidin-4-one is sourced from PubChem (CID 13440408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).