1-(2,2-diphenylpiperidin-1-yl)butan-1-one

C21H25NO — CID 174614105

IUPAC1-(2,2-diphenylpiperidin-1-yl)butan-1-one
SMILESCCCC(=O)N1CCCCC1(c1ccccc1)c1ccccc1
InChIInChI=1S/C21H25NO/c1-2-11-20(23)22-17-10-9-16-21(22,18-12-5-3-6-13-18)19-14-7-4-8-15-19/h3-8,12-15H,2,9-11,16-17H2,1H3
InChIKeyPDQPTUAKAOBPSY-UHFFFAOYSA-N
MW307.44 g/mol
LogP4.74
Rot. Bonds4

About 1-(2,2-diphenylpiperidin-1-yl)butan-1-one

1-(2,2-diphenylpiperidin-1-yl)butan-1-one (PubChem CID 174614105) has the molecular formula C21H25NO and a molecular weight of 307.44 g/mol. Its IUPAC name is 1-(2,2-diphenylpiperidin-1-yl)butan-1-one.

Molecular Properties

Compound Name1-(2,2-diphenylpiperidin-1-yl)butan-1-one
PubChem CID174614105
Molecular FormulaC21H25NO
Molecular Weight307.44 g/mol
Exact Mass307.19
IUPAC Name1-(2,2-diphenylpiperidin-1-yl)butan-1-one
SMILESCCCC(=O)N1CCCCC1(c1ccccc1)c1ccccc1
InChIInChI=1S/C21H25NO/c1-2-11-20(23)22-17-10-9-16-21(22,18-12-5-3-6-13-18)19-14-7-4-8-15-19/h3-8,12-15H,2,9-11,16-17H2,1H3
InChIKeyPDQPTUAKAOBPSY-UHFFFAOYSA-N
XLogP4.74
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.44
LogP ≤ 54.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-butanoyl-4-phenylpiperidine-4-carboxylic acid
CID 22240994
4-(2,2-diphenylpiperidin-1-yl)butanamide
CID 19992345
benzyl 2,2-diphenylpyrrolidine-1-carboxylate
CID 166443554
1-(1-phenylcyclopentyl)propan-1-one
CID 63080096
1-[2-(aminomethyl)-2-phenylpyrrolidin-1-yl]ethanone
CID 86102359
N-(1-phenylcyclohexyl)butanamide
CID 110478581
1-(1-hydroxy-4-phenylpiperidin-4-yl)butan-1-one
CID 91605385
2-methyl-1-(5-oxo-5-phenylpentanoyl)piperidine-2-carboxylic acid
CID 91839356
(1-methyl-4-phenylpiperidin-4-yl) butanoate;hydrochloride
CID 21125426
1-(3-phenylpropanoyl)-9-propyl-1,9-diazaspiro[4.5]decan-10-one
CID 162638324
2-ethyl-1-(3-phenylpropanoyl)pyrrolidine-2-carboxylic acid
CID 83076112
1-spiro[2H-indole-3,1'-cyclopentane]-1-ylbutan-1-one
CID 110750758

Frequently Asked Questions

What is the IUPAC name of 1-(2,2-diphenylpiperidin-1-yl)butan-1-one?
The IUPAC name of 1-(2,2-diphenylpiperidin-1-yl)butan-1-one (CID 174614105) is 1-(2,2-diphenylpiperidin-1-yl)butan-1-one.
What is the SMILES notation for 1-(2,2-diphenylpiperidin-1-yl)butan-1-one?
The canonical SMILES for 1-(2,2-diphenylpiperidin-1-yl)butan-1-one is CCCC(=O)N1CCCCC1(c1ccccc1)c1ccccc1.
What is the InChIKey of 1-(2,2-diphenylpiperidin-1-yl)butan-1-one?
The InChIKey is PDQPTUAKAOBPSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25NO/c1-2-11-20(23)22-17-10-9-16-21(22,18-12-5-3-6-13-18)19-14-7-4-8-15-19/h3-8,12-15H,2,9-11,16-17H2,1H3.
What are the key properties of 1-(2,2-diphenylpiperidin-1-yl)butan-1-one?
1-(2,2-diphenylpiperidin-1-yl)butan-1-one has a molecular weight of 307.44 g/mol, XLogP of 4.74, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-diphenylpiperidin-1-yl)butan-1-one is sourced from PubChem (CID 174614105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).