2-chloro-5-(piperidin-1-ylmethyl)pyridine

C11H15ClN2 — CID 1473525

IUPAC2-chloro-5-(piperidin-1-ylmethyl)pyridine
SMILESClc1ccc(CN2CCCCC2)cn1
InChIInChI=1S/C11H15ClN2/c12-11-5-4-10(8-13-11)9-14-6-2-1-3-7-14/h4-5,8H,1-3,6-7,9H2
InChIKeyUHTYDCOZEXBALQ-UHFFFAOYSA-N
MW210.71 g/mol
LogP2.72
Rot. Bonds2

About 2-chloro-5-(piperidin-1-ylmethyl)pyridine

2-chloro-5-(piperidin-1-ylmethyl)pyridine (PubChem CID 1473525) has the molecular formula C11H15ClN2 and a molecular weight of 210.71 g/mol. Its IUPAC name is 2-chloro-5-(piperidin-1-ylmethyl)pyridine.

Molecular Properties

Compound Name2-chloro-5-(piperidin-1-ylmethyl)pyridine
PubChem CID1473525
Molecular FormulaC11H15ClN2
Molecular Weight210.71 g/mol
Exact Mass210.09
IUPAC Name2-chloro-5-(piperidin-1-ylmethyl)pyridine
SMILESClc1ccc(CN2CCCCC2)cn1
InChIInChI=1S/C11H15ClN2/c12-11-5-4-10(8-13-11)9-14-6-2-1-3-7-14/h4-5,8H,1-3,6-7,9H2
InChIKeyUHTYDCOZEXBALQ-UHFFFAOYSA-N
XLogP2.72
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.71
LogP ≤ 52.72
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-5-(piperidin-1-ylmethyl)pyridine?
The IUPAC name of 2-chloro-5-(piperidin-1-ylmethyl)pyridine (CID 1473525) is 2-chloro-5-(piperidin-1-ylmethyl)pyridine.
What is the SMILES notation for 2-chloro-5-(piperidin-1-ylmethyl)pyridine?
The canonical SMILES for 2-chloro-5-(piperidin-1-ylmethyl)pyridine is Clc1ccc(CN2CCCCC2)cn1.
What is the InChIKey of 2-chloro-5-(piperidin-1-ylmethyl)pyridine?
The InChIKey is UHTYDCOZEXBALQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClN2/c12-11-5-4-10(8-13-11)9-14-6-2-1-3-7-14/h4-5,8H,1-3,6-7,9H2.
What are the key properties of 2-chloro-5-(piperidin-1-ylmethyl)pyridine?
2-chloro-5-(piperidin-1-ylmethyl)pyridine has a molecular weight of 210.71 g/mol, XLogP of 2.72, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-(piperidin-1-ylmethyl)pyridine is sourced from PubChem (CID 1473525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).