6-chloro-3-(2,6-dimethylpiperidin-1-yl)-2-methylpyridine

C13H19ClN2 — CID 82225092

IUPAC6-chloro-3-(2,6-dimethylpiperidin-1-yl)-2-methylpyridine
SMILESCc1nc(Cl)ccc1N1C(C)CCCC1C
InChIInChI=1S/C13H19ClN2/c1-9-5-4-6-10(2)16(9)12-7-8-13(14)15-11(12)3/h7-10H,4-6H2,1-3H3
InChIKeyMFKOVUPLLSJGME-UHFFFAOYSA-N
MW238.76 g/mol
LogP3.81
Rot. Bonds1

About 6-chloro-3-(2,6-dimethylpiperidin-1-yl)-2-methylpyridine

6-chloro-3-(2,6-dimethylpiperidin-1-yl)-2-methylpyridine (PubChem CID 82225092) has the molecular formula C13H19ClN2 and a molecular weight of 238.76 g/mol. Its IUPAC name is 6-chloro-3-(2,6-dimethylpiperidin-1-yl)-2-methylpyridine.

Molecular Properties

Compound Name6-chloro-3-(2,6-dimethylpiperidin-1-yl)-2-methylpyridine
PubChem CID82225092
Molecular FormulaC13H19ClN2
Molecular Weight238.76 g/mol
Exact Mass238.12
IUPAC Name6-chloro-3-(2,6-dimethylpiperidin-1-yl)-2-methylpyridine
SMILESCc1nc(Cl)ccc1N1C(C)CCCC1C
InChIInChI=1S/C13H19ClN2/c1-9-5-4-6-10(2)16(9)12-7-8-13(14)15-11(12)3/h7-10H,4-6H2,1-3H3
InChIKeyMFKOVUPLLSJGME-UHFFFAOYSA-N
XLogP3.81
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.76
LogP ≤ 53.81
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 6-chloro-3-(2,6-dimethylpiperidin-1-yl)-2-methylpyridine?
The IUPAC name of 6-chloro-3-(2,6-dimethylpiperidin-1-yl)-2-methylpyridine (CID 82225092) is 6-chloro-3-(2,6-dimethylpiperidin-1-yl)-2-methylpyridine.
What is the SMILES notation for 6-chloro-3-(2,6-dimethylpiperidin-1-yl)-2-methylpyridine?
The canonical SMILES for 6-chloro-3-(2,6-dimethylpiperidin-1-yl)-2-methylpyridine is Cc1nc(Cl)ccc1N1C(C)CCCC1C.
What is the InChIKey of 6-chloro-3-(2,6-dimethylpiperidin-1-yl)-2-methylpyridine?
The InChIKey is MFKOVUPLLSJGME-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19ClN2/c1-9-5-4-6-10(2)16(9)12-7-8-13(14)15-11(12)3/h7-10H,4-6H2,1-3H3.
What are the key properties of 6-chloro-3-(2,6-dimethylpiperidin-1-yl)-2-methylpyridine?
6-chloro-3-(2,6-dimethylpiperidin-1-yl)-2-methylpyridine has a molecular weight of 238.76 g/mol, XLogP of 3.81, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-3-(2,6-dimethylpiperidin-1-yl)-2-methylpyridine is sourced from PubChem (CID 82225092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).