1-(2-bromophenyl)-3-(4-tert-butylpiperazin-1-yl)propan-1-amine

C17H28BrN3 — CID 62625582

IUPAC1-(2-bromophenyl)-3-(4-tert-butylpiperazin-1-yl)propan-1-amine
SMILESCC(C)(C)N1CCN(CCC(N)c2ccccc2Br)CC1
InChIInChI=1S/C17H28BrN3/c1-17(2,3)21-12-10-20(11-13-21)9-8-16(19)14-6-4-5-7-15(14)18/h4-7,16H,8-13,19H2,1-3H3
InChIKeyUWKZPFJXLXUCHX-UHFFFAOYSA-N
MW354.34 g/mol
LogP3.26
Rot. Bonds4

About 1-(2-bromophenyl)-3-(4-tert-butylpiperazin-1-yl)propan-1-amine

1-(2-bromophenyl)-3-(4-tert-butylpiperazin-1-yl)propan-1-amine (PubChem CID 62625582) has the molecular formula C17H28BrN3 and a molecular weight of 354.34 g/mol. Its IUPAC name is 1-(2-bromophenyl)-3-(4-tert-butylpiperazin-1-yl)propan-1-amine.

Molecular Properties

Compound Name1-(2-bromophenyl)-3-(4-tert-butylpiperazin-1-yl)propan-1-amine
PubChem CID62625582
Molecular FormulaC17H28BrN3
Molecular Weight354.34 g/mol
Exact Mass353.15
IUPAC Name1-(2-bromophenyl)-3-(4-tert-butylpiperazin-1-yl)propan-1-amine
SMILESCC(C)(C)N1CCN(CCC(N)c2ccccc2Br)CC1
InChIInChI=1S/C17H28BrN3/c1-17(2,3)21-12-10-20(11-13-21)9-8-16(19)14-6-4-5-7-15(14)18/h4-7,16H,8-13,19H2,1-3H3
InChIKeyUWKZPFJXLXUCHX-UHFFFAOYSA-N
XLogP3.26
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.34
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(2-bromophenyl)-3-(4-tert-butylpiperazin-1-yl)propan-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

3-(4-tert-butylpiperazin-1-yl)-1-(2-methylphenyl)propan-1-amine
CID 62625581
3-(4-tert-butylpiperazin-1-yl)-1-(2-fluorophenyl)propan-1-amine
CID 62643340
3-(azocan-1-yl)-1-(2-bromophenyl)propan-1-amine
CID 55098260
1-(2-bromophenyl)-3-morpholin-4-ylpropan-1-amine
CID 55098547
1-[1-[3-amino-3-(2-bromophenyl)propyl]piperidin-4-yl]ethanol
CID 106837828
1-(2-bromophenyl)-3-(4-ethoxypiperidin-1-yl)propan-1-amine
CID 62630612
1-(2-bromophenyl)-3-(7,7-dimethyl-1,4-thiazepan-4-yl)propan-1-amine
CID 107459371
1-(2-bromophenyl)-3-(2,2-dimethylmorpholin-4-yl)propan-1-amine
CID 55098553
3-(4-tert-butylpiperazin-1-yl)-1-(3-chlorophenyl)propan-1-amine
CID 62622896
3-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-1-(2-bromophenyl)propan-1-amine
CID 79917237
3-(1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-2-yl)-1-(2-bromophenyl)propan-1-amine
CID 63151606
1-(2-bromophenyl)-3-(4-methylpiperazin-1-yl)propan-1-ol
CID 62625599

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromophenyl)-3-(4-tert-butylpiperazin-1-yl)propan-1-amine?
The IUPAC name of 1-(2-bromophenyl)-3-(4-tert-butylpiperazin-1-yl)propan-1-amine (CID 62625582) is 1-(2-bromophenyl)-3-(4-tert-butylpiperazin-1-yl)propan-1-amine.
What is the SMILES notation for 1-(2-bromophenyl)-3-(4-tert-butylpiperazin-1-yl)propan-1-amine?
The canonical SMILES for 1-(2-bromophenyl)-3-(4-tert-butylpiperazin-1-yl)propan-1-amine is CC(C)(C)N1CCN(CCC(N)c2ccccc2Br)CC1.
What is the InChIKey of 1-(2-bromophenyl)-3-(4-tert-butylpiperazin-1-yl)propan-1-amine?
The InChIKey is UWKZPFJXLXUCHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28BrN3/c1-17(2,3)21-12-10-20(11-13-21)9-8-16(19)14-6-4-5-7-15(14)18/h4-7,16H,8-13,19H2,1-3H3.
What are the key properties of 1-(2-bromophenyl)-3-(4-tert-butylpiperazin-1-yl)propan-1-amine?
1-(2-bromophenyl)-3-(4-tert-butylpiperazin-1-yl)propan-1-amine has a molecular weight of 354.34 g/mol, XLogP of 3.26, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromophenyl)-3-(4-tert-butylpiperazin-1-yl)propan-1-amine is sourced from PubChem (CID 62625582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).