4-benzhydryl-1-butylpiperidin-2-one

C22H27NO — CID 21135971

IUPAC4-benzhydryl-1-butylpiperidin-2-one
SMILESCCCCN1CCC(C(c2ccccc2)c2ccccc2)CC1=O
InChIInChI=1S/C22H27NO/c1-2-3-15-23-16-14-20(17-21(23)24)22(18-10-6-4-7-11-18)19-12-8-5-9-13-19/h4-13,20,22H,2-3,14-17H2,1H3
InChIKeyQVKSHZPWHNPGKD-UHFFFAOYSA-N
MW321.46 g/mol
LogP4.86
Rot. Bonds6

About 4-benzhydryl-1-butylpiperidin-2-one

4-benzhydryl-1-butylpiperidin-2-one (PubChem CID 21135971) has the molecular formula C22H27NO and a molecular weight of 321.46 g/mol. Its IUPAC name is 4-benzhydryl-1-butylpiperidin-2-one.

Molecular Properties

Compound Name4-benzhydryl-1-butylpiperidin-2-one
PubChem CID21135971
Molecular FormulaC22H27NO
Molecular Weight321.46 g/mol
Exact Mass321.21
IUPAC Name4-benzhydryl-1-butylpiperidin-2-one
SMILESCCCCN1CCC(C(c2ccccc2)c2ccccc2)CC1=O
InChIInChI=1S/C22H27NO/c1-2-3-15-23-16-14-20(17-21(23)24)22(18-10-6-4-7-11-18)19-12-8-5-9-13-19/h4-13,20,22H,2-3,14-17H2,1H3
InChIKeyQVKSHZPWHNPGKD-UHFFFAOYSA-N
XLogP4.86
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.46
LogP ≤ 54.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

4-(1-phenylethyl)-1-propylpyrrolidin-2-one
CID 123830048
(4S)-1-benzyl-4-propan-2-ylpiperidin-2-one
CID 171430314
1-butyl-4-hydroxypiperidin-2-one
CID 117013970
(3S)-N-benzhydryl-1-butyl-5-oxopyrrolidine-3-carboxamide
CID 9398236
(1-butyl-2-oxopyrrolidin-3-yl)-triphenylphosphanium bromide
CID 10672424
4-methyl-1-octylpiperidin-2-one
CID 139271548
1-butyl-3-propan-2-ylpyrrolidin-2-one
CID 139951375
1-butyl-4-[1-(1-phenylethyl)benzimidazol-2-yl]pyrrolidin-2-one
CID 43842064
4-[amino(phenyl)methyl]-1-(3-methoxypropyl)pyrrolidin-2-one
CID 82175991
2-[(4-butyl-3-oxopiperazine-1-carbonyl)amino]-2-phenylacetic acid
CID 70619630
1-(3-bromo-2-phenylpropyl)-5-propan-2-ylazepan-2-one
CID 65014455
4-benzhydrylpiperidine;hexan-1-ol
CID 174445924

Frequently Asked Questions

What is the IUPAC name of 4-benzhydryl-1-butylpiperidin-2-one?
The IUPAC name of 4-benzhydryl-1-butylpiperidin-2-one (CID 21135971) is 4-benzhydryl-1-butylpiperidin-2-one.
What is the SMILES notation for 4-benzhydryl-1-butylpiperidin-2-one?
The canonical SMILES for 4-benzhydryl-1-butylpiperidin-2-one is CCCCN1CCC(C(c2ccccc2)c2ccccc2)CC1=O.
What is the InChIKey of 4-benzhydryl-1-butylpiperidin-2-one?
The InChIKey is QVKSHZPWHNPGKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27NO/c1-2-3-15-23-16-14-20(17-21(23)24)22(18-10-6-4-7-11-18)19-12-8-5-9-13-19/h4-13,20,22H,2-3,14-17H2,1H3.
What are the key properties of 4-benzhydryl-1-butylpiperidin-2-one?
4-benzhydryl-1-butylpiperidin-2-one has a molecular weight of 321.46 g/mol, XLogP of 4.86, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzhydryl-1-butylpiperidin-2-one is sourced from PubChem (CID 21135971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).