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

C16H23NO — CID 897567

IUPAC1-(4-benzylpiperidin-1-yl)butan-1-one
SMILESCCCC(=O)N1CCC(Cc2ccccc2)CC1
InChIInChI=1S/C16H23NO/c1-2-6-16(18)17-11-9-15(10-12-17)13-14-7-4-3-5-8-14/h3-5,7-8,15H,2,6,9-13H2,1H3
InChIKeyBJHVZCJXHHPAQV-UHFFFAOYSA-N
MW245.37 g/mol
LogP3.27
Rot. Bonds4

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

1-(4-benzylpiperidin-1-yl)butan-1-one (PubChem CID 897567) has the molecular formula C16H23NO and a molecular weight of 245.37 g/mol. Its IUPAC name is 1-(4-benzylpiperidin-1-yl)butan-1-one.

Molecular Properties

Compound Name1-(4-benzylpiperidin-1-yl)butan-1-one
PubChem CID897567
Molecular FormulaC16H23NO
Molecular Weight245.37 g/mol
Exact Mass245.18
IUPAC Name1-(4-benzylpiperidin-1-yl)butan-1-one
SMILESCCCC(=O)N1CCC(Cc2ccccc2)CC1
InChIInChI=1S/C16H23NO/c1-2-6-16(18)17-11-9-15(10-12-17)13-14-7-4-3-5-8-14/h3-5,7-8,15H,2,6,9-13H2,1H3
InChIKeyBJHVZCJXHHPAQV-UHFFFAOYSA-N
XLogP3.27
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
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 ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(4-benzylpiperidin-1-yl)butan-1-one?
The IUPAC name of 1-(4-benzylpiperidin-1-yl)butan-1-one (CID 897567) is 1-(4-benzylpiperidin-1-yl)butan-1-one.
What is the SMILES notation for 1-(4-benzylpiperidin-1-yl)butan-1-one?
The canonical SMILES for 1-(4-benzylpiperidin-1-yl)butan-1-one is CCCC(=O)N1CCC(Cc2ccccc2)CC1.
What is the InChIKey of 1-(4-benzylpiperidin-1-yl)butan-1-one?
The InChIKey is BJHVZCJXHHPAQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO/c1-2-6-16(18)17-11-9-15(10-12-17)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-(4-benzylpiperidin-1-yl)butan-1-one?
1-(4-benzylpiperidin-1-yl)butan-1-one has a molecular weight of 245.37 g/mol, XLogP of 3.27, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-benzylpiperidin-1-yl)butan-1-one is sourced from PubChem (CID 897567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).