1-benzyl-2-propylpiperidin-4-one

C15H21NO — CID 123828340

IUPAC1-benzyl-2-propylpiperidin-4-one
SMILESCCCC1CC(=O)CCN1Cc1ccccc1
InChIInChI=1S/C15H21NO/c1-2-6-14-11-15(17)9-10-16(14)12-13-7-4-3-5-8-13/h3-5,7-8,14H,2,6,9-12H2,1H3
InChIKeyKHRXHNLQDZHJLX-UHFFFAOYSA-N
MW231.34 g/mol
LogP3.02
Rot. Bonds4

About 1-benzyl-2-propylpiperidin-4-one

1-benzyl-2-propylpiperidin-4-one (PubChem CID 123828340) has the molecular formula C15H21NO and a molecular weight of 231.34 g/mol. Its IUPAC name is 1-benzyl-2-propylpiperidin-4-one.

Molecular Properties

Compound Name1-benzyl-2-propylpiperidin-4-one
PubChem CID123828340
Molecular FormulaC15H21NO
Molecular Weight231.34 g/mol
Exact Mass231.16
IUPAC Name1-benzyl-2-propylpiperidin-4-one
SMILESCCCC1CC(=O)CCN1Cc1ccccc1
InChIInChI=1S/C15H21NO/c1-2-6-14-11-15(17)9-10-16(14)12-13-7-4-3-5-8-13/h3-5,7-8,14H,2,6,9-12H2,1H3
InChIKeyKHRXHNLQDZHJLX-UHFFFAOYSA-N
XLogP3.02
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.34
LogP ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-1-benzyl-2-propylpiperidine
CID 71407726
1-benzyl-2-(1,1-difluoropropyl)piperidin-4-one
CID 121308578
(2R)-1-benzyl-2-[[(4S)-2,2-diphenyl-1,3-dioxolan-4-yl]methyl]piperidin-4-one
CID 25180441
1-benzylpiperidin-4-one;butane
CID 70571840
1-benzyl-2-ethylpyrrolidin-3-one
CID 83848143
1-benzyl-2,3-dimethylpiperidin-4-one;hydrochloride
CID 53444394
[(2R)-1-benzyl-4-methylidenepiperidin-2-yl]methanol
CID 66735635
(5R,6S)-1-benzyl-5,6-dimethylpiperidin-3-one
CID 124709041
2-iodo-1-[(4-methoxyphenyl)methyl]piperidin-4-one
CID 174798266
4-[[(4-benzyl-3-propylpiperazine-1-carbonyl)amino]methyl]benzoic acid
CID 122020879
1-benzyl-3,4,5,5a,6,8,9,9a-octahydro-2H-benzo[b]azepin-7-one
CID 83488594
1-benzyl-2,5-dimethylpiperidine
CID 73200484

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-2-propylpiperidin-4-one?
The IUPAC name of 1-benzyl-2-propylpiperidin-4-one (CID 123828340) is 1-benzyl-2-propylpiperidin-4-one.
What is the SMILES notation for 1-benzyl-2-propylpiperidin-4-one?
The canonical SMILES for 1-benzyl-2-propylpiperidin-4-one is CCCC1CC(=O)CCN1Cc1ccccc1.
What is the InChIKey of 1-benzyl-2-propylpiperidin-4-one?
The InChIKey is KHRXHNLQDZHJLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO/c1-2-6-14-11-15(17)9-10-16(14)12-13-7-4-3-5-8-13/h3-5,7-8,14H,2,6,9-12H2,1H3.
What are the key properties of 1-benzyl-2-propylpiperidin-4-one?
1-benzyl-2-propylpiperidin-4-one has a molecular weight of 231.34 g/mol, XLogP of 3.02, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-2-propylpiperidin-4-one is sourced from PubChem (CID 123828340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).