1-benzylpiperidin-4-one

C12H15NO — CID 19220

IUPAC1-benzylpiperidin-4-one
SMILESO=C1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C12H15NO/c14-12-6-8-13(9-7-12)10-11-4-2-1-3-5-11/h1-5H,6-10H2
InChIKeySJZKULRDWHPHGG-UHFFFAOYSA-N
MW189.26 g/mol
LogP1.85
Rot. Bonds2

About 1-benzylpiperidin-4-one

1-benzylpiperidin-4-one (PubChem CID 19220) has the molecular formula C12H15NO and a molecular weight of 189.26 g/mol. Its IUPAC name is 1-benzylpiperidin-4-one.

Molecular Properties

Compound Name1-benzylpiperidin-4-one
PubChem CID19220
Molecular FormulaC12H15NO
Molecular Weight189.26 g/mol
Exact Mass189.12
IUPAC Name1-benzylpiperidin-4-one
SMILESO=C1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C12H15NO/c14-12-6-8-13(9-7-12)10-11-4-2-1-3-5-11/h1-5H,6-10H2
InChIKeySJZKULRDWHPHGG-UHFFFAOYSA-N
XLogP1.85
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.26
LogP ≤ 51.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-benzylpiperidin-4-one?
The IUPAC name of 1-benzylpiperidin-4-one (CID 19220) is 1-benzylpiperidin-4-one.
What is the SMILES notation for 1-benzylpiperidin-4-one?
The canonical SMILES for 1-benzylpiperidin-4-one is O=C1CCN(Cc2ccccc2)CC1.
What is the InChIKey of 1-benzylpiperidin-4-one?
The InChIKey is SJZKULRDWHPHGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO/c14-12-6-8-13(9-7-12)10-11-4-2-1-3-5-11/h1-5H,6-10H2.
What are the key properties of 1-benzylpiperidin-4-one?
1-benzylpiperidin-4-one has a molecular weight of 189.26 g/mol, XLogP of 1.85, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzylpiperidin-4-one is sourced from PubChem (CID 19220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).