3-(2-pyridin-4-ylethyl)piperidin-4-one

C12H16N2O — CID 83485514

IUPAC3-(2-pyridin-4-ylethyl)piperidin-4-one
SMILESO=C1CCNCC1CCc1ccncc1
InChIInChI=1S/C12H16N2O/c15-12-5-8-14-9-11(12)2-1-10-3-6-13-7-4-10/h3-4,6-7,11,14H,1-2,5,8-9H2
InChIKeyGSOOFCXNQXWEIW-UHFFFAOYSA-N
MW204.27 g/mol
LogP1.19
Rot. Bonds3

About 3-(2-pyridin-4-ylethyl)piperidin-4-one

3-(2-pyridin-4-ylethyl)piperidin-4-one (PubChem CID 83485514) has the molecular formula C12H16N2O and a molecular weight of 204.27 g/mol. Its IUPAC name is 3-(2-pyridin-4-ylethyl)piperidin-4-one.

Molecular Properties

Compound Name3-(2-pyridin-4-ylethyl)piperidin-4-one
PubChem CID83485514
Molecular FormulaC12H16N2O
Molecular Weight204.27 g/mol
Exact Mass204.13
IUPAC Name3-(2-pyridin-4-ylethyl)piperidin-4-one
SMILESO=C1CCNCC1CCc1ccncc1
InChIInChI=1S/C12H16N2O/c15-12-5-8-14-9-11(12)2-1-10-3-6-13-7-4-10/h3-4,6-7,11,14H,1-2,5,8-9H2
InChIKeyGSOOFCXNQXWEIW-UHFFFAOYSA-N
XLogP1.19
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.27
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(2-pyridin-4-ylethyl)piperidin-4-one?
The IUPAC name of 3-(2-pyridin-4-ylethyl)piperidin-4-one (CID 83485514) is 3-(2-pyridin-4-ylethyl)piperidin-4-one.
What is the SMILES notation for 3-(2-pyridin-4-ylethyl)piperidin-4-one?
The canonical SMILES for 3-(2-pyridin-4-ylethyl)piperidin-4-one is O=C1CCNCC1CCc1ccncc1.
What is the InChIKey of 3-(2-pyridin-4-ylethyl)piperidin-4-one?
The InChIKey is GSOOFCXNQXWEIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O/c15-12-5-8-14-9-11(12)2-1-10-3-6-13-7-4-10/h3-4,6-7,11,14H,1-2,5,8-9H2.
What are the key properties of 3-(2-pyridin-4-ylethyl)piperidin-4-one?
3-(2-pyridin-4-ylethyl)piperidin-4-one has a molecular weight of 204.27 g/mol, XLogP of 1.19, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-pyridin-4-ylethyl)piperidin-4-one is sourced from PubChem (CID 83485514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).