5-phenylpiperidin-2-one

C11H13NO — CID 3279694

IUPAC5-phenylpiperidin-2-one
SMILESO=C1CCC(c2ccccc2)CN1
InChIInChI=1S/C11H13NO/c13-11-7-6-10(8-12-11)9-4-2-1-3-5-9/h1-5,10H,6-8H2,(H,12,13)
InChIKeyKNYJDLYSXYMKTA-UHFFFAOYSA-N
MW175.23 g/mol
LogP1.68
Rot. Bonds1

About 5-phenylpiperidin-2-one

5-phenylpiperidin-2-one (PubChem CID 3279694) has the molecular formula C11H13NO and a molecular weight of 175.23 g/mol. Its IUPAC name is 5-phenylpiperidin-2-one.

Molecular Properties

Compound Name5-phenylpiperidin-2-one
PubChem CID3279694
Molecular FormulaC11H13NO
Molecular Weight175.23 g/mol
Exact Mass175.10
IUPAC Name5-phenylpiperidin-2-one
SMILESO=C1CCC(c2ccccc2)CN1
InChIInChI=1S/C11H13NO/c13-11-7-6-10(8-12-11)9-4-2-1-3-5-9/h1-5,10H,6-8H2,(H,12,13)
InChIKeyKNYJDLYSXYMKTA-UHFFFAOYSA-N
XLogP1.68
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.23
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5-phenylpiperidin-2-one?
The IUPAC name of 5-phenylpiperidin-2-one (CID 3279694) is 5-phenylpiperidin-2-one.
What is the SMILES notation for 5-phenylpiperidin-2-one?
The canonical SMILES for 5-phenylpiperidin-2-one is O=C1CCC(c2ccccc2)CN1.
What is the InChIKey of 5-phenylpiperidin-2-one?
The InChIKey is KNYJDLYSXYMKTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO/c13-11-7-6-10(8-12-11)9-4-2-1-3-5-9/h1-5,10H,6-8H2,(H,12,13).
What are the key properties of 5-phenylpiperidin-2-one?
5-phenylpiperidin-2-one has a molecular weight of 175.23 g/mol, XLogP of 1.68, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-phenylpiperidin-2-one is sourced from PubChem (CID 3279694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).