2-chloro-6-[(2-pyrrolidin-2-ylpiperidin-1-yl)methyl]pyridine

C15H22ClN3 — CID 79240835

IUPAC2-chloro-6-[(2-pyrrolidin-2-ylpiperidin-1-yl)methyl]pyridine
SMILESClc1cccc(CN2CCCCC2C2CCCN2)n1
InChIInChI=1S/C15H22ClN3/c16-15-8-3-5-12(18-15)11-19-10-2-1-7-14(19)13-6-4-9-17-13/h3,5,8,13-14,17H,1-2,4,6-7,9-11H2
InChIKeyLQCKNCKWCGIMPU-UHFFFAOYSA-N
MW279.81 g/mol
LogP2.84
Rot. Bonds3

About 2-chloro-6-[(2-pyrrolidin-2-ylpiperidin-1-yl)methyl]pyridine

2-chloro-6-[(2-pyrrolidin-2-ylpiperidin-1-yl)methyl]pyridine (PubChem CID 79240835) has the molecular formula C15H22ClN3 and a molecular weight of 279.81 g/mol. Its IUPAC name is 2-chloro-6-[(2-pyrrolidin-2-ylpiperidin-1-yl)methyl]pyridine.

Molecular Properties

Compound Name2-chloro-6-[(2-pyrrolidin-2-ylpiperidin-1-yl)methyl]pyridine
PubChem CID79240835
Molecular FormulaC15H22ClN3
Molecular Weight279.81 g/mol
Exact Mass279.15
IUPAC Name2-chloro-6-[(2-pyrrolidin-2-ylpiperidin-1-yl)methyl]pyridine
SMILESClc1cccc(CN2CCCCC2C2CCCN2)n1
InChIInChI=1S/C15H22ClN3/c16-15-8-3-5-12(18-15)11-19-10-2-1-7-14(19)13-6-4-9-17-13/h3,5,8,13-14,17H,1-2,4,6-7,9-11H2
InChIKeyLQCKNCKWCGIMPU-UHFFFAOYSA-N
XLogP2.84
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.81
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-6-[(2-pyrrolidin-2-ylpiperidin-1-yl)methyl]pyridine?
The IUPAC name of 2-chloro-6-[(2-pyrrolidin-2-ylpiperidin-1-yl)methyl]pyridine (CID 79240835) is 2-chloro-6-[(2-pyrrolidin-2-ylpiperidin-1-yl)methyl]pyridine.
What is the SMILES notation for 2-chloro-6-[(2-pyrrolidin-2-ylpiperidin-1-yl)methyl]pyridine?
The canonical SMILES for 2-chloro-6-[(2-pyrrolidin-2-ylpiperidin-1-yl)methyl]pyridine is Clc1cccc(CN2CCCCC2C2CCCN2)n1.
What is the InChIKey of 2-chloro-6-[(2-pyrrolidin-2-ylpiperidin-1-yl)methyl]pyridine?
The InChIKey is LQCKNCKWCGIMPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22ClN3/c16-15-8-3-5-12(18-15)11-19-10-2-1-7-14(19)13-6-4-9-17-13/h3,5,8,13-14,17H,1-2,4,6-7,9-11H2.
What are the key properties of 2-chloro-6-[(2-pyrrolidin-2-ylpiperidin-1-yl)methyl]pyridine?
2-chloro-6-[(2-pyrrolidin-2-ylpiperidin-1-yl)methyl]pyridine has a molecular weight of 279.81 g/mol, XLogP of 2.84, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-[(2-pyrrolidin-2-ylpiperidin-1-yl)methyl]pyridine is sourced from PubChem (CID 79240835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).