1-benzylpiperidin-3-one;hydrochloride

C12H16ClNO — CID 3084924

IUPAC1-benzylpiperidin-3-one;hydrochloride
SMILESCl.O=C1CCCN(Cc2ccccc2)C1
InChIInChI=1S/C12H15NO.ClH/c14-12-7-4-8-13(10-12)9-11-5-2-1-3-6-11;/h1-3,5-6H,4,7-10H2;1H
InChIKeyOVWSFXNSJDMRPV-UHFFFAOYSA-N
MW225.72 g/mol
LogP2.27
Rot. Bonds2

About 1-benzylpiperidin-3-one;hydrochloride

1-benzylpiperidin-3-one;hydrochloride (PubChem CID 3084924) has the molecular formula C12H16ClNO and a molecular weight of 225.72 g/mol. Its IUPAC name is 1-benzylpiperidin-3-one;hydrochloride.

Molecular Properties

Compound Name1-benzylpiperidin-3-one;hydrochloride
PubChem CID3084924
Molecular FormulaC12H16ClNO
Molecular Weight225.72 g/mol
Exact Mass225.09
IUPAC Name1-benzylpiperidin-3-one;hydrochloride
SMILESCl.O=C1CCCN(Cc2ccccc2)C1
InChIInChI=1S/C12H15NO.ClH/c14-12-7-4-8-13(10-12)9-11-5-2-1-3-6-11;/h1-3,5-6H,4,7-10H2;1H
InChIKeyOVWSFXNSJDMRPV-UHFFFAOYSA-N
XLogP2.27
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.72
LogP ≤ 52.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-benzylpiperidin-3-one;hydrochloride?
The IUPAC name of 1-benzylpiperidin-3-one;hydrochloride (CID 3084924) is 1-benzylpiperidin-3-one;hydrochloride.
What is the SMILES notation for 1-benzylpiperidin-3-one;hydrochloride?
The canonical SMILES for 1-benzylpiperidin-3-one;hydrochloride is Cl.O=C1CCCN(Cc2ccccc2)C1.
What is the InChIKey of 1-benzylpiperidin-3-one;hydrochloride?
The InChIKey is OVWSFXNSJDMRPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO.ClH/c14-12-7-4-8-13(10-12)9-11-5-2-1-3-6-11;/h1-3,5-6H,4,7-10H2;1H.
What are the key properties of 1-benzylpiperidin-3-one;hydrochloride?
1-benzylpiperidin-3-one;hydrochloride has a molecular weight of 225.72 g/mol, XLogP of 2.27, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzylpiperidin-3-one;hydrochloride is sourced from PubChem (CID 3084924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).