(3R)-1-(6-bromo-5-ethoxy-3-pyridinyl)-N-methylpiperidin-3-amine

C13H20BrN3O — CID 87733055

IUPAC(3R)-1-(6-bromo-5-ethoxy-3-pyridinyl)-N-methylpiperidin-3-amine
SMILESCCOc1cc(N2CCC[C@@H](NC)C2)cnc1Br
InChIInChI=1S/C13H20BrN3O/c1-3-18-12-7-11(8-16-13(12)14)17-6-4-5-10(9-17)15-2/h7-8,10,15H,3-6,9H2,1-2H3/t10-/m1/s1
InChIKeyUYDKTZOWAQNTOX-SNVBAGLBSA-N
MW314.23 g/mol
LogP2.43
Rot. Bonds4

About (3R)-1-(6-bromo-5-ethoxy-3-pyridinyl)-N-methylpiperidin-3-amine

(3R)-1-(6-bromo-5-ethoxy-3-pyridinyl)-N-methylpiperidin-3-amine (PubChem CID 87733055) has the molecular formula C13H20BrN3O and a molecular weight of 314.23 g/mol. Its IUPAC name is (3R)-1-(6-bromo-5-ethoxy-3-pyridinyl)-N-methylpiperidin-3-amine.

Molecular Properties

Compound Name(3R)-1-(6-bromo-5-ethoxy-3-pyridinyl)-N-methylpiperidin-3-amine
PubChem CID87733055
Molecular FormulaC13H20BrN3O
Molecular Weight314.23 g/mol
Exact Mass313.08
IUPAC Name(3R)-1-(6-bromo-5-ethoxy-3-pyridinyl)-N-methylpiperidin-3-amine
SMILESCCOc1cc(N2CCC[C@@H](NC)C2)cnc1Br
InChIInChI=1S/C13H20BrN3O/c1-3-18-12-7-11(8-16-13(12)14)17-6-4-5-10(9-17)15-2/h7-8,10,15H,3-6,9H2,1-2H3/t10-/m1/s1
InChIKeyUYDKTZOWAQNTOX-SNVBAGLBSA-N
XLogP2.43
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.23
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (3R)-1-(6-bromo-5-ethoxy-3-pyridinyl)-N-methylpiperidin-3-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 (3R)-1-(6-bromo-5-ethoxy-3-pyridinyl)-N-methylpiperidin-3-amine?
The IUPAC name of (3R)-1-(6-bromo-5-ethoxy-3-pyridinyl)-N-methylpiperidin-3-amine (CID 87733055) is (3R)-1-(6-bromo-5-ethoxy-3-pyridinyl)-N-methylpiperidin-3-amine.
What is the SMILES notation for (3R)-1-(6-bromo-5-ethoxy-3-pyridinyl)-N-methylpiperidin-3-amine?
The canonical SMILES for (3R)-1-(6-bromo-5-ethoxy-3-pyridinyl)-N-methylpiperidin-3-amine is CCOc1cc(N2CCC[C@@H](NC)C2)cnc1Br.
What is the InChIKey of (3R)-1-(6-bromo-5-ethoxy-3-pyridinyl)-N-methylpiperidin-3-amine?
The InChIKey is UYDKTZOWAQNTOX-SNVBAGLBSA-N. The full InChI is InChI=1S/C13H20BrN3O/c1-3-18-12-7-11(8-16-13(12)14)17-6-4-5-10(9-17)15-2/h7-8,10,15H,3-6,9H2,1-2H3/t10-/m1/s1.
What are the key properties of (3R)-1-(6-bromo-5-ethoxy-3-pyridinyl)-N-methylpiperidin-3-amine?
(3R)-1-(6-bromo-5-ethoxy-3-pyridinyl)-N-methylpiperidin-3-amine has a molecular weight of 314.23 g/mol, XLogP of 2.43, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-(6-bromo-5-ethoxy-3-pyridinyl)-N-methylpiperidin-3-amine is sourced from PubChem (CID 87733055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).