2-(chloromethyl)-6-(2,3,5-trimethylpiperidin-1-yl)pyridine

C14H21ClN2 — CID 114594776

IUPAC2-(chloromethyl)-6-(2,3,5-trimethylpiperidin-1-yl)pyridine
SMILESCC1CC(C)C(C)N(c2cccc(CCl)n2)C1
InChIInChI=1S/C14H21ClN2/c1-10-7-11(2)12(3)17(9-10)14-6-4-5-13(8-15)16-14/h4-6,10-12H,7-9H2,1-3H3
InChIKeyWFFASWKOYFQTKX-UHFFFAOYSA-N
MW252.79 g/mol
LogP3.69
Rot. Bonds2

About 2-(chloromethyl)-6-(2,3,5-trimethylpiperidin-1-yl)pyridine

2-(chloromethyl)-6-(2,3,5-trimethylpiperidin-1-yl)pyridine (PubChem CID 114594776) has the molecular formula C14H21ClN2 and a molecular weight of 252.79 g/mol. Its IUPAC name is 2-(chloromethyl)-6-(2,3,5-trimethylpiperidin-1-yl)pyridine.

Molecular Properties

Compound Name2-(chloromethyl)-6-(2,3,5-trimethylpiperidin-1-yl)pyridine
PubChem CID114594776
Molecular FormulaC14H21ClN2
Molecular Weight252.79 g/mol
Exact Mass252.14
IUPAC Name2-(chloromethyl)-6-(2,3,5-trimethylpiperidin-1-yl)pyridine
SMILESCC1CC(C)C(C)N(c2cccc(CCl)n2)C1
InChIInChI=1S/C14H21ClN2/c1-10-7-11(2)12(3)17(9-10)14-6-4-5-13(8-15)16-14/h4-6,10-12H,7-9H2,1-3H3
InChIKeyWFFASWKOYFQTKX-UHFFFAOYSA-N
XLogP3.69
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.79
LogP ≤ 53.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(chloromethyl)-6-(2,3,5-trimethylpiperidin-1-yl)pyridine?
The IUPAC name of 2-(chloromethyl)-6-(2,3,5-trimethylpiperidin-1-yl)pyridine (CID 114594776) is 2-(chloromethyl)-6-(2,3,5-trimethylpiperidin-1-yl)pyridine.
What is the SMILES notation for 2-(chloromethyl)-6-(2,3,5-trimethylpiperidin-1-yl)pyridine?
The canonical SMILES for 2-(chloromethyl)-6-(2,3,5-trimethylpiperidin-1-yl)pyridine is CC1CC(C)C(C)N(c2cccc(CCl)n2)C1.
What is the InChIKey of 2-(chloromethyl)-6-(2,3,5-trimethylpiperidin-1-yl)pyridine?
The InChIKey is WFFASWKOYFQTKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21ClN2/c1-10-7-11(2)12(3)17(9-10)14-6-4-5-13(8-15)16-14/h4-6,10-12H,7-9H2,1-3H3.
What are the key properties of 2-(chloromethyl)-6-(2,3,5-trimethylpiperidin-1-yl)pyridine?
2-(chloromethyl)-6-(2,3,5-trimethylpiperidin-1-yl)pyridine has a molecular weight of 252.79 g/mol, XLogP of 3.69, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(chloromethyl)-6-(2,3,5-trimethylpiperidin-1-yl)pyridine is sourced from PubChem (CID 114594776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).