2-phenylpiperidin-4-one

C11H13NO — CID 18687529

IUPAC2-phenylpiperidin-4-one
SMILESO=C1CCNC(c2ccccc2)C1
InChIInChI=1S/C11H13NO/c13-10-6-7-12-11(8-10)9-4-2-1-3-5-9/h1-5,11-12H,6-8H2
InChIKeyGWIBEASNZNAKCX-UHFFFAOYSA-N
MW175.23 g/mol
LogP1.68
Rot. Bonds1

About 2-phenylpiperidin-4-one

2-phenylpiperidin-4-one (PubChem CID 18687529) has the molecular formula C11H13NO and a molecular weight of 175.23 g/mol. Its IUPAC name is 2-phenylpiperidin-4-one.

Molecular Properties

Compound Name2-phenylpiperidin-4-one
PubChem CID18687529
Molecular FormulaC11H13NO
Molecular Weight175.23 g/mol
Exact Mass175.10
IUPAC Name2-phenylpiperidin-4-one
SMILESO=C1CCNC(c2ccccc2)C1
InChIInChI=1S/C11H13NO/c13-10-6-7-12-11(8-10)9-4-2-1-3-5-9/h1-5,11-12H,6-8H2
InChIKeyGWIBEASNZNAKCX-UHFFFAOYSA-N
XLogP1.68
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
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 ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-phenylpiperidin-4-one?
The IUPAC name of 2-phenylpiperidin-4-one (CID 18687529) is 2-phenylpiperidin-4-one.
What is the SMILES notation for 2-phenylpiperidin-4-one?
The canonical SMILES for 2-phenylpiperidin-4-one is O=C1CCNC(c2ccccc2)C1.
What is the InChIKey of 2-phenylpiperidin-4-one?
The InChIKey is GWIBEASNZNAKCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO/c13-10-6-7-12-11(8-10)9-4-2-1-3-5-9/h1-5,11-12H,6-8H2.
What are the key properties of 2-phenylpiperidin-4-one?
2-phenylpiperidin-4-one has a molecular weight of 175.23 g/mol, XLogP of 1.68, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenylpiperidin-4-one is sourced from PubChem (CID 18687529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).