1-(1-benzylpiperidin-4-yl)ethanone

C14H19NO — CID 910923

IUPAC1-(1-benzylpiperidin-4-yl)ethanone
SMILESCC(=O)C1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C14H19NO/c1-12(16)14-7-9-15(10-8-14)11-13-5-3-2-4-6-13/h2-6,14H,7-11H2,1H3
InChIKeyZTTPDEBBWJUCQQ-UHFFFAOYSA-N
MW217.31 g/mol
LogP2.49
Rot. Bonds3

About 1-(1-benzylpiperidin-4-yl)ethanone

1-(1-benzylpiperidin-4-yl)ethanone (PubChem CID 910923) has the molecular formula C14H19NO and a molecular weight of 217.31 g/mol. Its IUPAC name is 1-(1-benzylpiperidin-4-yl)ethanone.

Molecular Properties

Compound Name1-(1-benzylpiperidin-4-yl)ethanone
PubChem CID910923
Molecular FormulaC14H19NO
Molecular Weight217.31 g/mol
Exact Mass217.15
IUPAC Name1-(1-benzylpiperidin-4-yl)ethanone
SMILESCC(=O)C1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C14H19NO/c1-12(16)14-7-9-15(10-8-14)11-13-5-3-2-4-6-13/h2-6,14H,7-11H2,1H3
InChIKeyZTTPDEBBWJUCQQ-UHFFFAOYSA-N
XLogP2.49
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.31
LogP ≤ 52.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-benzylpiperidine-4-carbonyl chloride
CID 18919767
1-(1-benzylpiperidin-4-yl)butane-1,3-dione
CID 82665728
1-benzylpiperidine-4-carbothioic S-acid
CID 154705821
propan-2-yl 1-benzylpiperidine-4-carboxylate
CID 83983156
acetyl-(1-benzylpiperidin-4-yl)-dimethylazanium
CID 123706639
1-acetyl-N-(1-benzylpiperidin-4-yl)piperidine-4-carboxamide
CID 108804424
1-[(3S)-1-benzylpyrrolidin-3-yl]-2-chloroethanone
CID 164769335
1-[(3R)-1-benzylpyrrolidin-3-yl]-2-methylpropan-1-one
CID 59669005
phenyl 1-benzylpiperidine-4-carboxylate;hydrochloride
CID 18919929
1-[1-[(3-chlorophenyl)methyl]pyrrolidin-3-yl]ethanone
CID 83980928
1-benzyl-N-(2,2-dimethylpropyl)piperidine-4-carboxamide
CID 141383860
(1-benzylpyrrolidin-3-yl)-pyrrolidin-1-ylmethanone
CID 67294243

Frequently Asked Questions

What is the IUPAC name of 1-(1-benzylpiperidin-4-yl)ethanone?
The IUPAC name of 1-(1-benzylpiperidin-4-yl)ethanone (CID 910923) is 1-(1-benzylpiperidin-4-yl)ethanone.
What is the SMILES notation for 1-(1-benzylpiperidin-4-yl)ethanone?
The canonical SMILES for 1-(1-benzylpiperidin-4-yl)ethanone is CC(=O)C1CCN(Cc2ccccc2)CC1.
What is the InChIKey of 1-(1-benzylpiperidin-4-yl)ethanone?
The InChIKey is ZTTPDEBBWJUCQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO/c1-12(16)14-7-9-15(10-8-14)11-13-5-3-2-4-6-13/h2-6,14H,7-11H2,1H3.
What are the key properties of 1-(1-benzylpiperidin-4-yl)ethanone?
1-(1-benzylpiperidin-4-yl)ethanone has a molecular weight of 217.31 g/mol, XLogP of 2.49, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-benzylpiperidin-4-yl)ethanone is sourced from PubChem (CID 910923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).