(4-chloro-2-pyridinyl)-piperidin-1-ylmethanone

C11H13ClN2O — CID 4962251

IUPAC(4-chloro-2-pyridinyl)-piperidin-1-ylmethanone
SMILESO=C(c1cc(Cl)ccn1)N1CCCCC1
InChIInChI=1S/C11H13ClN2O/c12-9-4-5-13-10(8-9)11(15)14-6-2-1-3-7-14/h4-5,8H,1-3,6-7H2
InChIKeyCXAYZALESVPCFR-UHFFFAOYSA-N
MW224.69 g/mol
LogP2.36
Rot. Bonds1

About (4-chloro-2-pyridinyl)-piperidin-1-ylmethanone

(4-chloro-2-pyridinyl)-piperidin-1-ylmethanone (PubChem CID 4962251) has the molecular formula C11H13ClN2O and a molecular weight of 224.69 g/mol. Its IUPAC name is (4-chloro-2-pyridinyl)-piperidin-1-ylmethanone.

Molecular Properties

Compound Name(4-chloro-2-pyridinyl)-piperidin-1-ylmethanone
PubChem CID4962251
Molecular FormulaC11H13ClN2O
Molecular Weight224.69 g/mol
Exact Mass224.07
IUPAC Name(4-chloro-2-pyridinyl)-piperidin-1-ylmethanone
SMILESO=C(c1cc(Cl)ccn1)N1CCCCC1
InChIInChI=1S/C11H13ClN2O/c12-9-4-5-13-10(8-9)11(15)14-6-2-1-3-7-14/h4-5,8H,1-3,6-7H2
InChIKeyCXAYZALESVPCFR-UHFFFAOYSA-N
XLogP2.36
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.69
LogP ≤ 52.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (4-chloro-2-pyridinyl)-piperidin-1-ylmethanone?
The IUPAC name of (4-chloro-2-pyridinyl)-piperidin-1-ylmethanone (CID 4962251) is (4-chloro-2-pyridinyl)-piperidin-1-ylmethanone.
What is the SMILES notation for (4-chloro-2-pyridinyl)-piperidin-1-ylmethanone?
The canonical SMILES for (4-chloro-2-pyridinyl)-piperidin-1-ylmethanone is O=C(c1cc(Cl)ccn1)N1CCCCC1.
What is the InChIKey of (4-chloro-2-pyridinyl)-piperidin-1-ylmethanone?
The InChIKey is CXAYZALESVPCFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClN2O/c12-9-4-5-13-10(8-9)11(15)14-6-2-1-3-7-14/h4-5,8H,1-3,6-7H2.
What are the key properties of (4-chloro-2-pyridinyl)-piperidin-1-ylmethanone?
(4-chloro-2-pyridinyl)-piperidin-1-ylmethanone has a molecular weight of 224.69 g/mol, XLogP of 2.36, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chloro-2-pyridinyl)-piperidin-1-ylmethanone is sourced from PubChem (CID 4962251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).