1-(5-bromothiophen-2-yl)-3-piperazin-1-ylpropan-1-amine

C11H18BrN3S — CID 116939903

IUPAC1-(5-bromothiophen-2-yl)-3-piperazin-1-ylpropan-1-amine
SMILESNC(CCN1CCNCC1)c1ccc(Br)s1
InChIInChI=1S/C11H18BrN3S/c12-11-2-1-10(16-11)9(13)3-6-15-7-4-14-5-8-15/h1-2,9,14H,3-8,13H2
InChIKeyHEMVRESOFOVCKG-UHFFFAOYSA-N
MW304.26 g/mol
LogP1.81
Rot. Bonds4

About 1-(5-bromothiophen-2-yl)-3-piperazin-1-ylpropan-1-amine

1-(5-bromothiophen-2-yl)-3-piperazin-1-ylpropan-1-amine (PubChem CID 116939903) has the molecular formula C11H18BrN3S and a molecular weight of 304.26 g/mol. Its IUPAC name is 1-(5-bromothiophen-2-yl)-3-piperazin-1-ylpropan-1-amine.

Molecular Properties

Compound Name1-(5-bromothiophen-2-yl)-3-piperazin-1-ylpropan-1-amine
PubChem CID116939903
Molecular FormulaC11H18BrN3S
Molecular Weight304.26 g/mol
Exact Mass303.04
IUPAC Name1-(5-bromothiophen-2-yl)-3-piperazin-1-ylpropan-1-amine
SMILESNC(CCN1CCNCC1)c1ccc(Br)s1
InChIInChI=1S/C11H18BrN3S/c12-11-2-1-10(16-11)9(13)3-6-15-7-4-14-5-8-15/h1-2,9,14H,3-8,13H2
InChIKeyHEMVRESOFOVCKG-UHFFFAOYSA-N
XLogP1.81
TPSA41.29 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.26
LogP ≤ 51.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-(5-bromothiophen-2-yl)-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-(5-bromothiophen-2-yl)-2-(4-methylpiperazin-1-yl)ethanamine
CID 82308543
1-(4-methylsulfanylphenyl)-3-piperazin-1-ylpropan-1-amine
CID 116939916
3-piperazin-1-yl-1-(1H-pyrrol-2-yl)propan-1-amine
CID 116939912
(1S)-1-(5-bromothiophen-2-yl)butane-1,4-diamine;hydrochloride
CID 171222508
1-[(1S)-1-(5-bromothiophen-2-yl)ethyl]piperazine;dihydrochloride
CID 171276089
1-(2-fluorophenyl)-3-piperazin-1-ylpropan-1-amine
CID 116939924
1-[(S)-(5-bromothiophen-2-yl)-thiophen-2-ylmethyl]piperazine
CID 171276105
1-(5-bromo-2-methoxyphenyl)-3-piperazin-1-ylpropan-1-amine
CID 116939905
5-bromo-N-(2-piperazin-1-ylethyl)thiophene-2-carboxamide
CID 43600302
1-(5-bromothiophen-2-yl)-3-cyclopentylpropan-1-amine
CID 61103011
1-[(1S)-1-(5-bromothiophen-2-yl)-2,2-difluoroethyl]piperazine
CID 131553593
5-bromo-N-(3-piperazin-1-ylpropyl)thiophen-2-amine
CID 115230458

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromothiophen-2-yl)-3-piperazin-1-ylpropan-1-amine?
The IUPAC name of 1-(5-bromothiophen-2-yl)-3-piperazin-1-ylpropan-1-amine (CID 116939903) is 1-(5-bromothiophen-2-yl)-3-piperazin-1-ylpropan-1-amine.
What is the SMILES notation for 1-(5-bromothiophen-2-yl)-3-piperazin-1-ylpropan-1-amine?
The canonical SMILES for 1-(5-bromothiophen-2-yl)-3-piperazin-1-ylpropan-1-amine is NC(CCN1CCNCC1)c1ccc(Br)s1.
What is the InChIKey of 1-(5-bromothiophen-2-yl)-3-piperazin-1-ylpropan-1-amine?
The InChIKey is HEMVRESOFOVCKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18BrN3S/c12-11-2-1-10(16-11)9(13)3-6-15-7-4-14-5-8-15/h1-2,9,14H,3-8,13H2.
What are the key properties of 1-(5-bromothiophen-2-yl)-3-piperazin-1-ylpropan-1-amine?
1-(5-bromothiophen-2-yl)-3-piperazin-1-ylpropan-1-amine has a molecular weight of 304.26 g/mol, XLogP of 1.81, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromothiophen-2-yl)-3-piperazin-1-ylpropan-1-amine is sourced from PubChem (CID 116939903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).