4-(chloromethyl)-3-(2,3-dimethylpiperidin-1-yl)pyridine

C13H19ClN2 — CID 105067424

IUPAC4-(chloromethyl)-3-(2,3-dimethylpiperidin-1-yl)pyridine
SMILESCC1CCCN(c2cnccc2CCl)C1C
InChIInChI=1S/C13H19ClN2/c1-10-4-3-7-16(11(10)2)13-9-15-6-5-12(13)8-14/h5-6,9-11H,3-4,7-8H2,1-2H3
InChIKeyIWSLRCNBAXZNDZ-UHFFFAOYSA-N
MW238.76 g/mol
LogP3.45
Rot. Bonds2

About 4-(chloromethyl)-3-(2,3-dimethylpiperidin-1-yl)pyridine

4-(chloromethyl)-3-(2,3-dimethylpiperidin-1-yl)pyridine (PubChem CID 105067424) has the molecular formula C13H19ClN2 and a molecular weight of 238.76 g/mol. Its IUPAC name is 4-(chloromethyl)-3-(2,3-dimethylpiperidin-1-yl)pyridine.

Molecular Properties

Compound Name4-(chloromethyl)-3-(2,3-dimethylpiperidin-1-yl)pyridine
PubChem CID105067424
Molecular FormulaC13H19ClN2
Molecular Weight238.76 g/mol
Exact Mass238.12
IUPAC Name4-(chloromethyl)-3-(2,3-dimethylpiperidin-1-yl)pyridine
SMILESCC1CCCN(c2cnccc2CCl)C1C
InChIInChI=1S/C13H19ClN2/c1-10-4-3-7-16(11(10)2)13-9-15-6-5-12(13)8-14/h5-6,9-11H,3-4,7-8H2,1-2H3
InChIKeyIWSLRCNBAXZNDZ-UHFFFAOYSA-N
XLogP3.45
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 ≤ 53.45
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 4-(chloromethyl)-3-(2,3-dimethylpiperidin-1-yl)pyridine?
The IUPAC name of 4-(chloromethyl)-3-(2,3-dimethylpiperidin-1-yl)pyridine (CID 105067424) is 4-(chloromethyl)-3-(2,3-dimethylpiperidin-1-yl)pyridine.
What is the SMILES notation for 4-(chloromethyl)-3-(2,3-dimethylpiperidin-1-yl)pyridine?
The canonical SMILES for 4-(chloromethyl)-3-(2,3-dimethylpiperidin-1-yl)pyridine is CC1CCCN(c2cnccc2CCl)C1C.
What is the InChIKey of 4-(chloromethyl)-3-(2,3-dimethylpiperidin-1-yl)pyridine?
The InChIKey is IWSLRCNBAXZNDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19ClN2/c1-10-4-3-7-16(11(10)2)13-9-15-6-5-12(13)8-14/h5-6,9-11H,3-4,7-8H2,1-2H3.
What are the key properties of 4-(chloromethyl)-3-(2,3-dimethylpiperidin-1-yl)pyridine?
4-(chloromethyl)-3-(2,3-dimethylpiperidin-1-yl)pyridine has a molecular weight of 238.76 g/mol, XLogP of 3.45, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(chloromethyl)-3-(2,3-dimethylpiperidin-1-yl)pyridine is sourced from PubChem (CID 105067424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).