3-[(3-chloro-4-pyridinyl)methyl]piperidin-4-one

C11H13ClN2O — CID 114451534

IUPAC3-[(3-chloro-4-pyridinyl)methyl]piperidin-4-one
SMILESO=C1CCNCC1Cc1ccncc1Cl
InChIInChI=1S/C11H13ClN2O/c12-10-7-14-3-1-8(10)5-9-6-13-4-2-11(9)15/h1,3,7,9,13H,2,4-6H2
InChIKeyGQWOUWUJYOADEN-UHFFFAOYSA-N
MW224.69 g/mol
LogP1.46
Rot. Bonds2

About 3-[(3-chloro-4-pyridinyl)methyl]piperidin-4-one

3-[(3-chloro-4-pyridinyl)methyl]piperidin-4-one (PubChem CID 114451534) has the molecular formula C11H13ClN2O and a molecular weight of 224.69 g/mol. Its IUPAC name is 3-[(3-chloro-4-pyridinyl)methyl]piperidin-4-one.

Molecular Properties

Compound Name3-[(3-chloro-4-pyridinyl)methyl]piperidin-4-one
PubChem CID114451534
Molecular FormulaC11H13ClN2O
Molecular Weight224.69 g/mol
Exact Mass224.07
IUPAC Name3-[(3-chloro-4-pyridinyl)methyl]piperidin-4-one
SMILESO=C1CCNCC1Cc1ccncc1Cl
InChIInChI=1S/C11H13ClN2O/c12-10-7-14-3-1-8(10)5-9-6-13-4-2-11(9)15/h1,3,7,9,13H,2,4-6H2
InChIKeyGQWOUWUJYOADEN-UHFFFAOYSA-N
XLogP1.46
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.69
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[(3-chloro-4-pyridinyl)methyl]piperidin-4-one?
The IUPAC name of 3-[(3-chloro-4-pyridinyl)methyl]piperidin-4-one (CID 114451534) is 3-[(3-chloro-4-pyridinyl)methyl]piperidin-4-one.
What is the SMILES notation for 3-[(3-chloro-4-pyridinyl)methyl]piperidin-4-one?
The canonical SMILES for 3-[(3-chloro-4-pyridinyl)methyl]piperidin-4-one is O=C1CCNCC1Cc1ccncc1Cl.
What is the InChIKey of 3-[(3-chloro-4-pyridinyl)methyl]piperidin-4-one?
The InChIKey is GQWOUWUJYOADEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClN2O/c12-10-7-14-3-1-8(10)5-9-6-13-4-2-11(9)15/h1,3,7,9,13H,2,4-6H2.
What are the key properties of 3-[(3-chloro-4-pyridinyl)methyl]piperidin-4-one?
3-[(3-chloro-4-pyridinyl)methyl]piperidin-4-one has a molecular weight of 224.69 g/mol, XLogP of 1.46, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-chloro-4-pyridinyl)methyl]piperidin-4-one is sourced from PubChem (CID 114451534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).