(5-bromo-2-methoxyphenyl)-piperidin-4-ylmethanamine

C13H19BrN2O — CID 82308334

IUPAC(5-bromo-2-methoxyphenyl)-piperidin-4-ylmethanamine
SMILESCOc1ccc(Br)cc1C(N)C1CCNCC1
InChIInChI=1S/C13H19BrN2O/c1-17-12-3-2-10(14)8-11(12)13(15)9-4-6-16-7-5-9/h2-3,8-9,13,16H,4-7,15H2,1H3
InChIKeyHLLQZEJVVUACOK-UHFFFAOYSA-N
MW299.21 g/mol
LogP2.46
Rot. Bonds3

About (5-bromo-2-methoxyphenyl)-piperidin-4-ylmethanamine

(5-bromo-2-methoxyphenyl)-piperidin-4-ylmethanamine (PubChem CID 82308334) has the molecular formula C13H19BrN2O and a molecular weight of 299.21 g/mol. Its IUPAC name is (5-bromo-2-methoxyphenyl)-piperidin-4-ylmethanamine.

Molecular Properties

Compound Name(5-bromo-2-methoxyphenyl)-piperidin-4-ylmethanamine
PubChem CID82308334
Molecular FormulaC13H19BrN2O
Molecular Weight299.21 g/mol
Exact Mass298.07
IUPAC Name(5-bromo-2-methoxyphenyl)-piperidin-4-ylmethanamine
SMILESCOc1ccc(Br)cc1C(N)C1CCNCC1
InChIInChI=1S/C13H19BrN2O/c1-17-12-3-2-10(14)8-11(12)13(15)9-4-6-16-7-5-9/h2-3,8-9,13,16H,4-7,15H2,1H3
InChIKeyHLLQZEJVVUACOK-UHFFFAOYSA-N
XLogP2.46
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.21
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (5-bromo-2-methoxyphenyl)-piperidin-4-ylmethanamine with MolForge

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

Launch Full Analysis

Related Compounds

(2-methoxy-4,5-dimethylphenyl)-piperidin-4-ylmethanamine
CID 82296681
(3-bromo-4-methoxyphenyl)-piperidin-4-ylmethanamine
CID 82308332
(4-fluoro-2-methoxyphenyl)-piperidin-4-ylmethanamine
CID 70196823
(R)-(2,4-dimethoxyphenyl)-piperidin-4-ylmethanamine;hydrochloride
CID 171314189
(5-tert-butyl-2-methoxyphenyl)-pyrrolidin-3-ylmethanamine
CID 116935509
(S)-[5-bromo-2-(trifluoromethoxy)phenyl]-cyclopropylmethanamine
CID 171227615
(R)-(5-bromo-2-ethoxyphenyl)-cyclopropylmethanamine;hydrochloride
CID 171206516
(5-bromo-2-ethoxyphenyl)-cyclohexylmethanamine
CID 43311323
(S)-[5-bromo-2-(trifluoromethoxy)phenyl]-cyclobutylmethanamine
CID 171227613
(R)-[5-bromo-2-(trifluoromethoxy)phenyl]-cyclopentylmethanamine
CID 171208037
(S)-(5-bromo-2-ethoxyphenyl)-cyclopentylmethanamine;hydrochloride
CID 171226092
(R)-(3-ethoxy-4-methoxyphenyl)-piperidin-4-ylmethanamine
CID 171314559

Frequently Asked Questions

What is the IUPAC name of (5-bromo-2-methoxyphenyl)-piperidin-4-ylmethanamine?
The IUPAC name of (5-bromo-2-methoxyphenyl)-piperidin-4-ylmethanamine (CID 82308334) is (5-bromo-2-methoxyphenyl)-piperidin-4-ylmethanamine.
What is the SMILES notation for (5-bromo-2-methoxyphenyl)-piperidin-4-ylmethanamine?
The canonical SMILES for (5-bromo-2-methoxyphenyl)-piperidin-4-ylmethanamine is COc1ccc(Br)cc1C(N)C1CCNCC1.
What is the InChIKey of (5-bromo-2-methoxyphenyl)-piperidin-4-ylmethanamine?
The InChIKey is HLLQZEJVVUACOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19BrN2O/c1-17-12-3-2-10(14)8-11(12)13(15)9-4-6-16-7-5-9/h2-3,8-9,13,16H,4-7,15H2,1H3.
What are the key properties of (5-bromo-2-methoxyphenyl)-piperidin-4-ylmethanamine?
(5-bromo-2-methoxyphenyl)-piperidin-4-ylmethanamine has a molecular weight of 299.21 g/mol, XLogP of 2.46, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-bromo-2-methoxyphenyl)-piperidin-4-ylmethanamine is sourced from PubChem (CID 82308334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).