2-chloro-4-piperidin-1-ylpyridine

C10H13ClN2 — CID 53217413

IUPAC2-chloro-4-piperidin-1-ylpyridine
SMILESClc1cc(N2CCCCC2)ccn1
InChIInChI=1S/C10H13ClN2/c11-10-8-9(4-5-12-10)13-6-2-1-3-7-13/h4-5,8H,1-3,6-7H2
InChIKeyHWFCCPYJDWCIPA-UHFFFAOYSA-N
MW196.68 g/mol
LogP2.73
Rot. Bonds1

About 2-chloro-4-piperidin-1-ylpyridine

2-chloro-4-piperidin-1-ylpyridine (PubChem CID 53217413) has the molecular formula C10H13ClN2 and a molecular weight of 196.68 g/mol. Its IUPAC name is 2-chloro-4-piperidin-1-ylpyridine.

Molecular Properties

Compound Name2-chloro-4-piperidin-1-ylpyridine
PubChem CID53217413
Molecular FormulaC10H13ClN2
Molecular Weight196.68 g/mol
Exact Mass196.08
IUPAC Name2-chloro-4-piperidin-1-ylpyridine
SMILESClc1cc(N2CCCCC2)ccn1
InChIInChI=1S/C10H13ClN2/c11-10-8-9(4-5-12-10)13-6-2-1-3-7-13/h4-5,8H,1-3,6-7H2
InChIKeyHWFCCPYJDWCIPA-UHFFFAOYSA-N
XLogP2.73
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.68
LogP ≤ 52.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-piperidin-1-ylpyridine?
The IUPAC name of 2-chloro-4-piperidin-1-ylpyridine (CID 53217413) is 2-chloro-4-piperidin-1-ylpyridine.
What is the SMILES notation for 2-chloro-4-piperidin-1-ylpyridine?
The canonical SMILES for 2-chloro-4-piperidin-1-ylpyridine is Clc1cc(N2CCCCC2)ccn1.
What is the InChIKey of 2-chloro-4-piperidin-1-ylpyridine?
The InChIKey is HWFCCPYJDWCIPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13ClN2/c11-10-8-9(4-5-12-10)13-6-2-1-3-7-13/h4-5,8H,1-3,6-7H2.
What are the key properties of 2-chloro-4-piperidin-1-ylpyridine?
2-chloro-4-piperidin-1-ylpyridine has a molecular weight of 196.68 g/mol, XLogP of 2.73, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-piperidin-1-ylpyridine is sourced from PubChem (CID 53217413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).