1-pyridin-2-ylpiperidin-4-one

C10H12N2O — CID 18348391

IUPAC1-pyridin-2-ylpiperidin-4-one
SMILESO=C1CCN(c2ccccn2)CC1
InChIInChI=1S/C10H12N2O/c13-9-4-7-12(8-5-9)10-3-1-2-6-11-10/h1-3,6H,4-5,7-8H2
InChIKeyCSNJUQMJDHNKHI-UHFFFAOYSA-N
MW176.22 g/mol
LogP1.25
Rot. Bonds1

About 1-pyridin-2-ylpiperidin-4-one

1-pyridin-2-ylpiperidin-4-one (PubChem CID 18348391) has the molecular formula C10H12N2O and a molecular weight of 176.22 g/mol. Its IUPAC name is 1-pyridin-2-ylpiperidin-4-one.

Molecular Properties

Compound Name1-pyridin-2-ylpiperidin-4-one
PubChem CID18348391
Molecular FormulaC10H12N2O
Molecular Weight176.22 g/mol
Exact Mass176.09
IUPAC Name1-pyridin-2-ylpiperidin-4-one
SMILESO=C1CCN(c2ccccn2)CC1
InChIInChI=1S/C10H12N2O/c13-9-4-7-12(8-5-9)10-3-1-2-6-11-10/h1-3,6H,4-5,7-8H2
InChIKeyCSNJUQMJDHNKHI-UHFFFAOYSA-N
XLogP1.25
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.22
LogP ≤ 51.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-pyridin-2-ylpiperidin-4-one?
The IUPAC name of 1-pyridin-2-ylpiperidin-4-one (CID 18348391) is 1-pyridin-2-ylpiperidin-4-one.
What is the SMILES notation for 1-pyridin-2-ylpiperidin-4-one?
The canonical SMILES for 1-pyridin-2-ylpiperidin-4-one is O=C1CCN(c2ccccn2)CC1.
What is the InChIKey of 1-pyridin-2-ylpiperidin-4-one?
The InChIKey is CSNJUQMJDHNKHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O/c13-9-4-7-12(8-5-9)10-3-1-2-6-11-10/h1-3,6H,4-5,7-8H2.
What are the key properties of 1-pyridin-2-ylpiperidin-4-one?
1-pyridin-2-ylpiperidin-4-one has a molecular weight of 176.22 g/mol, XLogP of 1.25, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-pyridin-2-ylpiperidin-4-one is sourced from PubChem (CID 18348391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).