1-(1-benzylpiperidin-4-yl)butan-1-one

C16H23NO — CID 793381

IUPAC1-(1-benzylpiperidin-4-yl)butan-1-one
SMILESCCCC(=O)C1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C16H23NO/c1-2-6-16(18)15-9-11-17(12-10-15)13-14-7-4-3-5-8-14/h3-5,7-8,15H,2,6,9-13H2,1H3
InChIKeyAITVAFLFWVCWGS-UHFFFAOYSA-N
MW245.37 g/mol
LogP3.27
Rot. Bonds5

About 1-(1-benzylpiperidin-4-yl)butan-1-one

1-(1-benzylpiperidin-4-yl)butan-1-one (PubChem CID 793381) has the molecular formula C16H23NO and a molecular weight of 245.37 g/mol. Its IUPAC name is 1-(1-benzylpiperidin-4-yl)butan-1-one.

Molecular Properties

Compound Name1-(1-benzylpiperidin-4-yl)butan-1-one
PubChem CID793381
Molecular FormulaC16H23NO
Molecular Weight245.37 g/mol
Exact Mass245.18
IUPAC Name1-(1-benzylpiperidin-4-yl)butan-1-one
SMILESCCCC(=O)C1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C16H23NO/c1-2-6-16(18)15-9-11-17(12-10-15)13-14-7-4-3-5-8-14/h3-5,7-8,15H,2,6,9-13H2,1H3
InChIKeyAITVAFLFWVCWGS-UHFFFAOYSA-N
XLogP3.27
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.37
LogP ≤ 53.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-(1-benzylpiperidin-4-yl)butan-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(1-benzylpiperidin-4-yl)butan-1-one?
The IUPAC name of 1-(1-benzylpiperidin-4-yl)butan-1-one (CID 793381) is 1-(1-benzylpiperidin-4-yl)butan-1-one.
What is the SMILES notation for 1-(1-benzylpiperidin-4-yl)butan-1-one?
The canonical SMILES for 1-(1-benzylpiperidin-4-yl)butan-1-one is CCCC(=O)C1CCN(Cc2ccccc2)CC1.
What is the InChIKey of 1-(1-benzylpiperidin-4-yl)butan-1-one?
The InChIKey is AITVAFLFWVCWGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO/c1-2-6-16(18)15-9-11-17(12-10-15)13-14-7-4-3-5-8-14/h3-5,7-8,15H,2,6,9-13H2,1H3.
What are the key properties of 1-(1-benzylpiperidin-4-yl)butan-1-one?
1-(1-benzylpiperidin-4-yl)butan-1-one has a molecular weight of 245.37 g/mol, XLogP of 3.27, 5 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)butan-1-one is sourced from PubChem (CID 793381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).