6-bromo-N-(1-ethylpiperidin-4-yl)-N-methylpyridin-2-amine

C13H20BrN3 — CID 63961742

IUPAC6-bromo-N-(1-ethylpiperidin-4-yl)-N-methylpyridin-2-amine
SMILESCCN1CCC(N(C)c2cccc(Br)n2)CC1
InChIInChI=1S/C13H20BrN3/c1-3-17-9-7-11(8-10-17)16(2)13-6-4-5-12(14)15-13/h4-6,11H,3,7-10H2,1-2H3
InChIKeyNMUGGUCOFHJELA-UHFFFAOYSA-N
MW298.23 g/mol
LogP2.76
Rot. Bonds3

About 6-bromo-N-(1-ethylpiperidin-4-yl)-N-methylpyridin-2-amine

6-bromo-N-(1-ethylpiperidin-4-yl)-N-methylpyridin-2-amine (PubChem CID 63961742) has the molecular formula C13H20BrN3 and a molecular weight of 298.23 g/mol. Its IUPAC name is 6-bromo-N-(1-ethylpiperidin-4-yl)-N-methylpyridin-2-amine.

Molecular Properties

Compound Name6-bromo-N-(1-ethylpiperidin-4-yl)-N-methylpyridin-2-amine
PubChem CID63961742
Molecular FormulaC13H20BrN3
Molecular Weight298.23 g/mol
Exact Mass297.08
IUPAC Name6-bromo-N-(1-ethylpiperidin-4-yl)-N-methylpyridin-2-amine
SMILESCCN1CCC(N(C)c2cccc(Br)n2)CC1
InChIInChI=1S/C13H20BrN3/c1-3-17-9-7-11(8-10-17)16(2)13-6-4-5-12(14)15-13/h4-6,11H,3,7-10H2,1-2H3
InChIKeyNMUGGUCOFHJELA-UHFFFAOYSA-N
XLogP2.76
TPSA19.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.23
LogP ≤ 52.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze 6-bromo-N-(1-ethylpiperidin-4-yl)-N-methylpyridin-2-amine 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 6-bromo-N-(1-ethylpiperidin-4-yl)-N-methylpyridin-2-amine?
The IUPAC name of 6-bromo-N-(1-ethylpiperidin-4-yl)-N-methylpyridin-2-amine (CID 63961742) is 6-bromo-N-(1-ethylpiperidin-4-yl)-N-methylpyridin-2-amine.
What is the SMILES notation for 6-bromo-N-(1-ethylpiperidin-4-yl)-N-methylpyridin-2-amine?
The canonical SMILES for 6-bromo-N-(1-ethylpiperidin-4-yl)-N-methylpyridin-2-amine is CCN1CCC(N(C)c2cccc(Br)n2)CC1.
What is the InChIKey of 6-bromo-N-(1-ethylpiperidin-4-yl)-N-methylpyridin-2-amine?
The InChIKey is NMUGGUCOFHJELA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20BrN3/c1-3-17-9-7-11(8-10-17)16(2)13-6-4-5-12(14)15-13/h4-6,11H,3,7-10H2,1-2H3.
What are the key properties of 6-bromo-N-(1-ethylpiperidin-4-yl)-N-methylpyridin-2-amine?
6-bromo-N-(1-ethylpiperidin-4-yl)-N-methylpyridin-2-amine has a molecular weight of 298.23 g/mol, XLogP of 2.76, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-N-(1-ethylpiperidin-4-yl)-N-methylpyridin-2-amine is sourced from PubChem (CID 63961742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).