1-benzylpiperidin-2-one

C12H15NO — CID 5170076

IUPAC1-benzylpiperidin-2-one
SMILESO=C1CCCCN1Cc1ccccc1
InChIInChI=1S/C12H15NO/c14-12-8-4-5-9-13(12)10-11-6-2-1-3-7-11/h1-3,6-7H,4-5,8-10H2
InChIKeyMLEGMEBCXGDFQT-UHFFFAOYSA-N
MW189.26 g/mol
LogP2.20
Rot. Bonds2

About 1-benzylpiperidin-2-one

1-benzylpiperidin-2-one (PubChem CID 5170076) has the molecular formula C12H15NO and a molecular weight of 189.26 g/mol. Its IUPAC name is 1-benzylpiperidin-2-one.

Molecular Properties

Compound Name1-benzylpiperidin-2-one
PubChem CID5170076
Molecular FormulaC12H15NO
Molecular Weight189.26 g/mol
Exact Mass189.12
IUPAC Name1-benzylpiperidin-2-one
SMILESO=C1CCCCN1Cc1ccccc1
InChIInChI=1S/C12H15NO/c14-12-8-4-5-9-13(12)10-11-6-2-1-3-7-11/h1-3,6-7H,4-5,8-10H2
InChIKeyMLEGMEBCXGDFQT-UHFFFAOYSA-N
XLogP2.20
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.26
LogP ≤ 52.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-benzylpiperidin-2-one?
The IUPAC name of 1-benzylpiperidin-2-one (CID 5170076) is 1-benzylpiperidin-2-one.
What is the SMILES notation for 1-benzylpiperidin-2-one?
The canonical SMILES for 1-benzylpiperidin-2-one is O=C1CCCCN1Cc1ccccc1.
What is the InChIKey of 1-benzylpiperidin-2-one?
The InChIKey is MLEGMEBCXGDFQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO/c14-12-8-4-5-9-13(12)10-11-6-2-1-3-7-11/h1-3,6-7H,4-5,8-10H2.
What are the key properties of 1-benzylpiperidin-2-one?
1-benzylpiperidin-2-one has a molecular weight of 189.26 g/mol, XLogP of 2.20, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzylpiperidin-2-one is sourced from PubChem (CID 5170076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).