2-chloro-5-[(2-methylpiperidin-1-yl)methyl]pyridine

C12H17ClN2 — CID 3711158

IUPAC2-chloro-5-[(2-methylpiperidin-1-yl)methyl]pyridine
SMILESCC1CCCCN1Cc1ccc(Cl)nc1
InChIInChI=1S/C12H17ClN2/c1-10-4-2-3-7-15(10)9-11-5-6-12(13)14-8-11/h5-6,8,10H,2-4,7,9H2,1H3
InChIKeyGJJRFHPCKPHDSV-UHFFFAOYSA-N
MW224.73 g/mol
LogP3.11
Rot. Bonds2

About 2-chloro-5-[(2-methylpiperidin-1-yl)methyl]pyridine

2-chloro-5-[(2-methylpiperidin-1-yl)methyl]pyridine (PubChem CID 3711158) has the molecular formula C12H17ClN2 and a molecular weight of 224.73 g/mol. Its IUPAC name is 2-chloro-5-[(2-methylpiperidin-1-yl)methyl]pyridine.

Molecular Properties

Compound Name2-chloro-5-[(2-methylpiperidin-1-yl)methyl]pyridine
PubChem CID3711158
Molecular FormulaC12H17ClN2
Molecular Weight224.73 g/mol
Exact Mass224.11
IUPAC Name2-chloro-5-[(2-methylpiperidin-1-yl)methyl]pyridine
SMILESCC1CCCCN1Cc1ccc(Cl)nc1
InChIInChI=1S/C12H17ClN2/c1-10-4-2-3-7-15(10)9-11-5-6-12(13)14-8-11/h5-6,8,10H,2-4,7,9H2,1H3
InChIKeyGJJRFHPCKPHDSV-UHFFFAOYSA-N
XLogP3.11
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.73
LogP ≤ 53.11
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-[(2-methylpiperidin-1-yl)methyl]pyridine?
The IUPAC name of 2-chloro-5-[(2-methylpiperidin-1-yl)methyl]pyridine (CID 3711158) is 2-chloro-5-[(2-methylpiperidin-1-yl)methyl]pyridine.
What is the SMILES notation for 2-chloro-5-[(2-methylpiperidin-1-yl)methyl]pyridine?
The canonical SMILES for 2-chloro-5-[(2-methylpiperidin-1-yl)methyl]pyridine is CC1CCCCN1Cc1ccc(Cl)nc1.
What is the InChIKey of 2-chloro-5-[(2-methylpiperidin-1-yl)methyl]pyridine?
The InChIKey is GJJRFHPCKPHDSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17ClN2/c1-10-4-2-3-7-15(10)9-11-5-6-12(13)14-8-11/h5-6,8,10H,2-4,7,9H2,1H3.
What are the key properties of 2-chloro-5-[(2-methylpiperidin-1-yl)methyl]pyridine?
2-chloro-5-[(2-methylpiperidin-1-yl)methyl]pyridine has a molecular weight of 224.73 g/mol, XLogP of 3.11, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-[(2-methylpiperidin-1-yl)methyl]pyridine is sourced from PubChem (CID 3711158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).