3-(chloromethyl)-4-(3,5-dimethylpiperidin-1-yl)pyridine

C13H19ClN2 — CID 81237796

IUPAC3-(chloromethyl)-4-(3,5-dimethylpiperidin-1-yl)pyridine
SMILESCC1CC(C)CN(c2ccncc2CCl)C1
InChIInChI=1S/C13H19ClN2/c1-10-5-11(2)9-16(8-10)13-3-4-15-7-12(13)6-14/h3-4,7,10-11H,5-6,8-9H2,1-2H3
InChIKeyWPORMNLJDUTNBF-UHFFFAOYSA-N
MW238.76 g/mol
LogP3.30
Rot. Bonds2

About 3-(chloromethyl)-4-(3,5-dimethylpiperidin-1-yl)pyridine

3-(chloromethyl)-4-(3,5-dimethylpiperidin-1-yl)pyridine (PubChem CID 81237796) has the molecular formula C13H19ClN2 and a molecular weight of 238.76 g/mol. Its IUPAC name is 3-(chloromethyl)-4-(3,5-dimethylpiperidin-1-yl)pyridine.

Molecular Properties

Compound Name3-(chloromethyl)-4-(3,5-dimethylpiperidin-1-yl)pyridine
PubChem CID81237796
Molecular FormulaC13H19ClN2
Molecular Weight238.76 g/mol
Exact Mass238.12
IUPAC Name3-(chloromethyl)-4-(3,5-dimethylpiperidin-1-yl)pyridine
SMILESCC1CC(C)CN(c2ccncc2CCl)C1
InChIInChI=1S/C13H19ClN2/c1-10-5-11(2)9-16(8-10)13-3-4-15-7-12(13)6-14/h3-4,7,10-11H,5-6,8-9H2,1-2H3
InChIKeyWPORMNLJDUTNBF-UHFFFAOYSA-N
XLogP3.30
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.76
LogP ≤ 53.30
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 3-(chloromethyl)-4-(3,5-dimethylpiperidin-1-yl)pyridine?
The IUPAC name of 3-(chloromethyl)-4-(3,5-dimethylpiperidin-1-yl)pyridine (CID 81237796) is 3-(chloromethyl)-4-(3,5-dimethylpiperidin-1-yl)pyridine.
What is the SMILES notation for 3-(chloromethyl)-4-(3,5-dimethylpiperidin-1-yl)pyridine?
The canonical SMILES for 3-(chloromethyl)-4-(3,5-dimethylpiperidin-1-yl)pyridine is CC1CC(C)CN(c2ccncc2CCl)C1.
What is the InChIKey of 3-(chloromethyl)-4-(3,5-dimethylpiperidin-1-yl)pyridine?
The InChIKey is WPORMNLJDUTNBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19ClN2/c1-10-5-11(2)9-16(8-10)13-3-4-15-7-12(13)6-14/h3-4,7,10-11H,5-6,8-9H2,1-2H3.
What are the key properties of 3-(chloromethyl)-4-(3,5-dimethylpiperidin-1-yl)pyridine?
3-(chloromethyl)-4-(3,5-dimethylpiperidin-1-yl)pyridine has a molecular weight of 238.76 g/mol, XLogP of 3.30, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(chloromethyl)-4-(3,5-dimethylpiperidin-1-yl)pyridine is sourced from PubChem (CID 81237796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).