[5-chloro-6-(3,5-dimethylpiperidin-1-yl)-3-pyridinyl]methanamine

C13H20ClN3 — CID 62300014

IUPAC[5-chloro-6-(3,5-dimethylpiperidin-1-yl)-3-pyridinyl]methanamine
SMILESCC1CC(C)CN(c2ncc(CN)cc2Cl)C1
InChIInChI=1S/C13H20ClN3/c1-9-3-10(2)8-17(7-9)13-12(14)4-11(5-15)6-16-13/h4,6,9-10H,3,5,7-8,15H2,1-2H3
InChIKeyCSBKFCLDJLUYOS-UHFFFAOYSA-N
MW253.78 g/mol
LogP2.68
Rot. Bonds2

About [5-chloro-6-(3,5-dimethylpiperidin-1-yl)-3-pyridinyl]methanamine

[5-chloro-6-(3,5-dimethylpiperidin-1-yl)-3-pyridinyl]methanamine (PubChem CID 62300014) has the molecular formula C13H20ClN3 and a molecular weight of 253.78 g/mol. Its IUPAC name is [5-chloro-6-(3,5-dimethylpiperidin-1-yl)-3-pyridinyl]methanamine.

Molecular Properties

Compound Name[5-chloro-6-(3,5-dimethylpiperidin-1-yl)-3-pyridinyl]methanamine
PubChem CID62300014
Molecular FormulaC13H20ClN3
Molecular Weight253.78 g/mol
Exact Mass253.13
IUPAC Name[5-chloro-6-(3,5-dimethylpiperidin-1-yl)-3-pyridinyl]methanamine
SMILESCC1CC(C)CN(c2ncc(CN)cc2Cl)C1
InChIInChI=1S/C13H20ClN3/c1-9-3-10(2)8-17(7-9)13-12(14)4-11(5-15)6-16-13/h4,6,9-10H,3,5,7-8,15H2,1-2H3
InChIKeyCSBKFCLDJLUYOS-UHFFFAOYSA-N
XLogP2.68
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.78
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze [5-chloro-6-(3,5-dimethylpiperidin-1-yl)-3-pyridinyl]methanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [5-chloro-6-(3,5-dimethylpiperidin-1-yl)-3-pyridinyl]methanamine?
The IUPAC name of [5-chloro-6-(3,5-dimethylpiperidin-1-yl)-3-pyridinyl]methanamine (CID 62300014) is [5-chloro-6-(3,5-dimethylpiperidin-1-yl)-3-pyridinyl]methanamine.
What is the SMILES notation for [5-chloro-6-(3,5-dimethylpiperidin-1-yl)-3-pyridinyl]methanamine?
The canonical SMILES for [5-chloro-6-(3,5-dimethylpiperidin-1-yl)-3-pyridinyl]methanamine is CC1CC(C)CN(c2ncc(CN)cc2Cl)C1.
What is the InChIKey of [5-chloro-6-(3,5-dimethylpiperidin-1-yl)-3-pyridinyl]methanamine?
The InChIKey is CSBKFCLDJLUYOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20ClN3/c1-9-3-10(2)8-17(7-9)13-12(14)4-11(5-15)6-16-13/h4,6,9-10H,3,5,7-8,15H2,1-2H3.
What are the key properties of [5-chloro-6-(3,5-dimethylpiperidin-1-yl)-3-pyridinyl]methanamine?
[5-chloro-6-(3,5-dimethylpiperidin-1-yl)-3-pyridinyl]methanamine has a molecular weight of 253.78 g/mol, XLogP of 2.68, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [5-chloro-6-(3,5-dimethylpiperidin-1-yl)-3-pyridinyl]methanamine is sourced from PubChem (CID 62300014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).