1-(5-bromo-2-methoxyphenyl)-3-piperazin-1-ylpropan-1-amine

C14H22BrN3O — CID 116939905

IUPAC1-(5-bromo-2-methoxyphenyl)-3-piperazin-1-ylpropan-1-amine
SMILESCOc1ccc(Br)cc1C(N)CCN1CCNCC1
InChIInChI=1S/C14H22BrN3O/c1-19-14-3-2-11(15)10-12(14)13(16)4-7-18-8-5-17-6-9-18/h2-3,10,13,17H,4-9,16H2,1H3
InChIKeyGTYDQEDEESUBJC-UHFFFAOYSA-N
MW328.25 g/mol
LogP1.75
Rot. Bonds5

About 1-(5-bromo-2-methoxyphenyl)-3-piperazin-1-ylpropan-1-amine

1-(5-bromo-2-methoxyphenyl)-3-piperazin-1-ylpropan-1-amine (PubChem CID 116939905) has the molecular formula C14H22BrN3O and a molecular weight of 328.25 g/mol. Its IUPAC name is 1-(5-bromo-2-methoxyphenyl)-3-piperazin-1-ylpropan-1-amine.

Molecular Properties

Compound Name1-(5-bromo-2-methoxyphenyl)-3-piperazin-1-ylpropan-1-amine
PubChem CID116939905
Molecular FormulaC14H22BrN3O
Molecular Weight328.25 g/mol
Exact Mass327.09
IUPAC Name1-(5-bromo-2-methoxyphenyl)-3-piperazin-1-ylpropan-1-amine
SMILESCOc1ccc(Br)cc1C(N)CCN1CCNCC1
InChIInChI=1S/C14H22BrN3O/c1-19-14-3-2-11(15)10-12(14)13(16)4-7-18-8-5-17-6-9-18/h2-3,10,13,17H,4-9,16H2,1H3
InChIKeyGTYDQEDEESUBJC-UHFFFAOYSA-N
XLogP1.75
TPSA50.52 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.25
LogP ≤ 51.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-(5-bromo-2-methoxyphenyl)-3-piperazin-1-ylpropan-1-amine 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

1-[(1S)-1-(5-bromo-2-methoxyphenyl)-2-fluoroethyl]piperazine
CID 171181757
(1S)-1-(5-bromo-2-methoxyphenyl)pentane-1,5-diamine
CID 171221124
1-[(1R)-1-(5-bromo-2-methoxyphenyl)-4-methylpentyl]piperazine
CID 171310767
(1S)-1-(5-bromo-2-methoxyphenyl)but-3-en-1-amine
CID 171221129
(1R)-1-(5-bromo-2-methoxyphenyl)but-3-en-1-amine
CID 171201592
1-(2,5-dimethoxyphenyl)-3-piperazin-1-ylpropan-1-ol
CID 82093877
1-[(5-bromo-2-methoxyphenyl)-(3,5-dimethylphenyl)methyl]piperazine
CID 3809899
(2R)-2-amino-2-(5-bromo-2-methoxyphenyl)ethanol
CID 66515416
(1S)-1-(5-bromo-2-methoxyphenyl)-2-fluoroethanamine;hydrochloride
CID 171201580
1-[(5-bromo-2-methoxyphenyl)methyl]piperazine;hydrochloride
CID 119903802
1-[(5-bromo-2-ethoxyphenyl)-(2,5-dimethoxyphenyl)methyl]piperazine
CID 3428738
5-amino-5-(5-bromo-2-methoxyphenyl)pentan-2-one
CID 116940685

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-2-methoxyphenyl)-3-piperazin-1-ylpropan-1-amine?
The IUPAC name of 1-(5-bromo-2-methoxyphenyl)-3-piperazin-1-ylpropan-1-amine (CID 116939905) is 1-(5-bromo-2-methoxyphenyl)-3-piperazin-1-ylpropan-1-amine.
What is the SMILES notation for 1-(5-bromo-2-methoxyphenyl)-3-piperazin-1-ylpropan-1-amine?
The canonical SMILES for 1-(5-bromo-2-methoxyphenyl)-3-piperazin-1-ylpropan-1-amine is COc1ccc(Br)cc1C(N)CCN1CCNCC1.
What is the InChIKey of 1-(5-bromo-2-methoxyphenyl)-3-piperazin-1-ylpropan-1-amine?
The InChIKey is GTYDQEDEESUBJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22BrN3O/c1-19-14-3-2-11(15)10-12(14)13(16)4-7-18-8-5-17-6-9-18/h2-3,10,13,17H,4-9,16H2,1H3.
What are the key properties of 1-(5-bromo-2-methoxyphenyl)-3-piperazin-1-ylpropan-1-amine?
1-(5-bromo-2-methoxyphenyl)-3-piperazin-1-ylpropan-1-amine has a molecular weight of 328.25 g/mol, XLogP of 1.75, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromo-2-methoxyphenyl)-3-piperazin-1-ylpropan-1-amine is sourced from PubChem (CID 116939905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).