6-phenylpiperidin-2-one

C11H13NO — CID 600225

IUPAC6-phenylpiperidin-2-one
SMILESO=C1CCCC(c2ccccc2)N1
InChIInChI=1S/C11H13NO/c13-11-8-4-7-10(12-11)9-5-2-1-3-6-9/h1-3,5-6,10H,4,7-8H2,(H,12,13)
InChIKeyDVPYHFDURADIIA-UHFFFAOYSA-N
MW175.23 g/mol
LogP2.03
Rot. Bonds1

About 6-phenylpiperidin-2-one

6-phenylpiperidin-2-one (PubChem CID 600225) has the molecular formula C11H13NO and a molecular weight of 175.23 g/mol. Its IUPAC name is 6-phenylpiperidin-2-one.

Molecular Properties

Compound Name6-phenylpiperidin-2-one
PubChem CID600225
Molecular FormulaC11H13NO
Molecular Weight175.23 g/mol
Exact Mass175.10
IUPAC Name6-phenylpiperidin-2-one
SMILESO=C1CCCC(c2ccccc2)N1
InChIInChI=1S/C11H13NO/c13-11-8-4-7-10(12-11)9-5-2-1-3-6-9/h1-3,5-6,10H,4,7-8H2,(H,12,13)
InChIKeyDVPYHFDURADIIA-UHFFFAOYSA-N
XLogP2.03
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 ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 6-phenylpiperidin-2-one?
The IUPAC name of 6-phenylpiperidin-2-one (CID 600225) is 6-phenylpiperidin-2-one.
What is the SMILES notation for 6-phenylpiperidin-2-one?
The canonical SMILES for 6-phenylpiperidin-2-one is O=C1CCCC(c2ccccc2)N1.
What is the InChIKey of 6-phenylpiperidin-2-one?
The InChIKey is DVPYHFDURADIIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO/c13-11-8-4-7-10(12-11)9-5-2-1-3-6-9/h1-3,5-6,10H,4,7-8H2,(H,12,13).
What are the key properties of 6-phenylpiperidin-2-one?
6-phenylpiperidin-2-one has a molecular weight of 175.23 g/mol, XLogP of 2.03, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-phenylpiperidin-2-one is sourced from PubChem (CID 600225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).