5-chloro-6-[(2,4-dimethylpiperidin-1-yl)methyl]-N-methylpyridin-2-amine

C14H22ClN3 — CID 62892235

IUPAC5-chloro-6-[(2,4-dimethylpiperidin-1-yl)methyl]-N-methylpyridin-2-amine
SMILESCNc1ccc(Cl)c(CN2CCC(C)CC2C)n1
InChIInChI=1S/C14H22ClN3/c1-10-6-7-18(11(2)8-10)9-13-12(15)4-5-14(16-3)17-13/h4-5,10-11H,6-9H2,1-3H3,(H,16,17)
InChIKeyMDXLYOYCLQMBHY-UHFFFAOYSA-N
MW267.80 g/mol
LogP3.40
Rot. Bonds3

About 5-chloro-6-[(2,4-dimethylpiperidin-1-yl)methyl]-N-methylpyridin-2-amine

5-chloro-6-[(2,4-dimethylpiperidin-1-yl)methyl]-N-methylpyridin-2-amine (PubChem CID 62892235) has the molecular formula C14H22ClN3 and a molecular weight of 267.80 g/mol. Its IUPAC name is 5-chloro-6-[(2,4-dimethylpiperidin-1-yl)methyl]-N-methylpyridin-2-amine.

Molecular Properties

Compound Name5-chloro-6-[(2,4-dimethylpiperidin-1-yl)methyl]-N-methylpyridin-2-amine
PubChem CID62892235
Molecular FormulaC14H22ClN3
Molecular Weight267.80 g/mol
Exact Mass267.15
IUPAC Name5-chloro-6-[(2,4-dimethylpiperidin-1-yl)methyl]-N-methylpyridin-2-amine
SMILESCNc1ccc(Cl)c(CN2CCC(C)CC2C)n1
InChIInChI=1S/C14H22ClN3/c1-10-6-7-18(11(2)8-10)9-13-12(15)4-5-14(16-3)17-13/h4-5,10-11H,6-9H2,1-3H3,(H,16,17)
InChIKeyMDXLYOYCLQMBHY-UHFFFAOYSA-N
XLogP3.40
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.80
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-6-[(2,4-dimethylpiperidin-1-yl)methyl]-N-methylpyridin-2-amine?
The IUPAC name of 5-chloro-6-[(2,4-dimethylpiperidin-1-yl)methyl]-N-methylpyridin-2-amine (CID 62892235) is 5-chloro-6-[(2,4-dimethylpiperidin-1-yl)methyl]-N-methylpyridin-2-amine.
What is the SMILES notation for 5-chloro-6-[(2,4-dimethylpiperidin-1-yl)methyl]-N-methylpyridin-2-amine?
The canonical SMILES for 5-chloro-6-[(2,4-dimethylpiperidin-1-yl)methyl]-N-methylpyridin-2-amine is CNc1ccc(Cl)c(CN2CCC(C)CC2C)n1.
What is the InChIKey of 5-chloro-6-[(2,4-dimethylpiperidin-1-yl)methyl]-N-methylpyridin-2-amine?
The InChIKey is MDXLYOYCLQMBHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22ClN3/c1-10-6-7-18(11(2)8-10)9-13-12(15)4-5-14(16-3)17-13/h4-5,10-11H,6-9H2,1-3H3,(H,16,17).
What are the key properties of 5-chloro-6-[(2,4-dimethylpiperidin-1-yl)methyl]-N-methylpyridin-2-amine?
5-chloro-6-[(2,4-dimethylpiperidin-1-yl)methyl]-N-methylpyridin-2-amine has a molecular weight of 267.80 g/mol, XLogP of 3.40, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-6-[(2,4-dimethylpiperidin-1-yl)methyl]-N-methylpyridin-2-amine is sourced from PubChem (CID 62892235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).