1-phenylpiperidin-2-one

C11H13NO — CID 571760

IUPAC1-phenylpiperidin-2-one
SMILESO=C1CCCCN1c1ccccc1
InChIInChI=1S/C11H13NO/c13-11-8-4-5-9-12(11)10-6-2-1-3-7-10/h1-3,6-7H,4-5,8-9H2
InChIKeyNKOGCJIYHZVBDR-UHFFFAOYSA-N
MW175.23 g/mol
LogP2.20
Rot. Bonds1

About 1-phenylpiperidin-2-one

1-phenylpiperidin-2-one (PubChem CID 571760) has the molecular formula C11H13NO and a molecular weight of 175.23 g/mol. Its IUPAC name is 1-phenylpiperidin-2-one.

Molecular Properties

Compound Name1-phenylpiperidin-2-one
PubChem CID571760
Molecular FormulaC11H13NO
Molecular Weight175.23 g/mol
Exact Mass175.10
IUPAC Name1-phenylpiperidin-2-one
SMILESO=C1CCCCN1c1ccccc1
InChIInChI=1S/C11H13NO/c13-11-8-4-5-9-12(11)10-6-2-1-3-7-10/h1-3,6-7H,4-5,8-9H2
InChIKeyNKOGCJIYHZVBDR-UHFFFAOYSA-N
XLogP2.20
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.23
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-phenylpiperidin-2-one?
The IUPAC name of 1-phenylpiperidin-2-one (CID 571760) is 1-phenylpiperidin-2-one.
What is the SMILES notation for 1-phenylpiperidin-2-one?
The canonical SMILES for 1-phenylpiperidin-2-one is O=C1CCCCN1c1ccccc1.
What is the InChIKey of 1-phenylpiperidin-2-one?
The InChIKey is NKOGCJIYHZVBDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO/c13-11-8-4-5-9-12(11)10-6-2-1-3-7-10/h1-3,6-7H,4-5,8-9H2.
What are the key properties of 1-phenylpiperidin-2-one?
1-phenylpiperidin-2-one has a molecular weight of 175.23 g/mol, XLogP of 2.20, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenylpiperidin-2-one is sourced from PubChem (CID 571760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).