1-[1-(3-bromophenyl)propan-2-yl]piperazine

C13H19BrN2 — CID 82024249

IUPAC1-[1-(3-bromophenyl)propan-2-yl]piperazine
SMILESCC(Cc1cccc(Br)c1)N1CCNCC1
InChIInChI=1S/C13H19BrN2/c1-11(16-7-5-15-6-8-16)9-12-3-2-4-13(14)10-12/h2-4,10-11,15H,5-9H2,1H3
InChIKeyUOEOJGDEZJINNO-UHFFFAOYSA-N
MW283.21 g/mol
LogP2.29
Rot. Bonds3

About 1-[1-(3-bromophenyl)propan-2-yl]piperazine

1-[1-(3-bromophenyl)propan-2-yl]piperazine (PubChem CID 82024249) has the molecular formula C13H19BrN2 and a molecular weight of 283.21 g/mol. Its IUPAC name is 1-[1-(3-bromophenyl)propan-2-yl]piperazine.

Molecular Properties

Compound Name1-[1-(3-bromophenyl)propan-2-yl]piperazine
PubChem CID82024249
Molecular FormulaC13H19BrN2
Molecular Weight283.21 g/mol
Exact Mass282.07
IUPAC Name1-[1-(3-bromophenyl)propan-2-yl]piperazine
SMILESCC(Cc1cccc(Br)c1)N1CCNCC1
InChIInChI=1S/C13H19BrN2/c1-11(16-7-5-15-6-8-16)9-12-3-2-4-13(14)10-12/h2-4,10-11,15H,5-9H2,1H3
InChIKeyUOEOJGDEZJINNO-UHFFFAOYSA-N
XLogP2.29
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.21
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-[1-(3-bromophenyl)propan-2-yl]piperazine 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-bromophenyl)methyl 2-piperazin-1-ylpropanoate
CID 82824066
1-(3-bromophenyl)-N-methyl-3-piperazin-1-ylbutan-1-amine
CID 116960927
3-(3-bromophenyl)-2-hydroxy-1-piperazin-1-ylpropan-1-one
CID 82095210
5-(2-piperazin-1-ylpropyl)-1,3-dihydrobenzimidazol-2-one
CID 82500602
1-[bis(3-bromophenyl)methyl]piperazine
CID 3761882
1-[2-(3-bromophenyl)ethyl]piperazine
CID 53407154
2-methoxy-5-(2-piperazin-1-ylpropyl)phenol
CID 82024247
1-[(1R)-1-(3-bromophenyl)-4-methylpentyl]piperazine;dihydrochloride
CID 171310660
2-[(3-bromophenyl)methyl]-1-(1,4-diazepan-1-yl)-4-methylpentan-1-one;hydrochloride
CID 119414571
7-bromo-2-(2-piperazin-1-ylpropyl)-[1,2,4]triazolo[1,5-a]pyridine
CID 116990080
1-(3-bromophenyl)-2-piperazin-1-ylpropan-1-one
CID 83559257
2-(3-bromophenyl)-N-methyl-N-(2-piperazin-1-ylethyl)ethanamine
CID 115230425

Frequently Asked Questions

What is the IUPAC name of 1-[1-(3-bromophenyl)propan-2-yl]piperazine?
The IUPAC name of 1-[1-(3-bromophenyl)propan-2-yl]piperazine (CID 82024249) is 1-[1-(3-bromophenyl)propan-2-yl]piperazine.
What is the SMILES notation for 1-[1-(3-bromophenyl)propan-2-yl]piperazine?
The canonical SMILES for 1-[1-(3-bromophenyl)propan-2-yl]piperazine is CC(Cc1cccc(Br)c1)N1CCNCC1.
What is the InChIKey of 1-[1-(3-bromophenyl)propan-2-yl]piperazine?
The InChIKey is UOEOJGDEZJINNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19BrN2/c1-11(16-7-5-15-6-8-16)9-12-3-2-4-13(14)10-12/h2-4,10-11,15H,5-9H2,1H3.
What are the key properties of 1-[1-(3-bromophenyl)propan-2-yl]piperazine?
1-[1-(3-bromophenyl)propan-2-yl]piperazine has a molecular weight of 283.21 g/mol, XLogP of 2.29, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(3-bromophenyl)propan-2-yl]piperazine is sourced from PubChem (CID 82024249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).