1-[3-(4-bromophenyl)cyclopent-2-en-1-yl]piperazine

C15H19BrN2 — CID 82308639

IUPAC1-[3-(4-bromophenyl)cyclopent-2-en-1-yl]piperazine
SMILESBrc1ccc(C2=CC(N3CCNCC3)CC2)cc1
InChIInChI=1S/C15H19BrN2/c16-14-4-1-12(2-5-14)13-3-6-15(11-13)18-9-7-17-8-10-18/h1-2,4-5,11,15,17H,3,6-10H2
InChIKeyKMEDPXFWXAKDCQ-UHFFFAOYSA-N
MW307.23 g/mol
LogP2.90
Rot. Bonds2

About 1-[3-(4-bromophenyl)cyclopent-2-en-1-yl]piperazine

1-[3-(4-bromophenyl)cyclopent-2-en-1-yl]piperazine (PubChem CID 82308639) has the molecular formula C15H19BrN2 and a molecular weight of 307.23 g/mol. Its IUPAC name is 1-[3-(4-bromophenyl)cyclopent-2-en-1-yl]piperazine.

Molecular Properties

Compound Name1-[3-(4-bromophenyl)cyclopent-2-en-1-yl]piperazine
PubChem CID82308639
Molecular FormulaC15H19BrN2
Molecular Weight307.23 g/mol
Exact Mass306.07
IUPAC Name1-[3-(4-bromophenyl)cyclopent-2-en-1-yl]piperazine
SMILESBrc1ccc(C2=CC(N3CCNCC3)CC2)cc1
InChIInChI=1S/C15H19BrN2/c16-14-4-1-12(2-5-14)13-3-6-15(11-13)18-9-7-17-8-10-18/h1-2,4-5,11,15,17H,3,6-10H2
InChIKeyKMEDPXFWXAKDCQ-UHFFFAOYSA-N
XLogP2.90
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.23
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-[3-(4-bromophenyl)cyclopent-2-en-1-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

Frequently Asked Questions

What is the IUPAC name of 1-[3-(4-bromophenyl)cyclopent-2-en-1-yl]piperazine?
The IUPAC name of 1-[3-(4-bromophenyl)cyclopent-2-en-1-yl]piperazine (CID 82308639) is 1-[3-(4-bromophenyl)cyclopent-2-en-1-yl]piperazine.
What is the SMILES notation for 1-[3-(4-bromophenyl)cyclopent-2-en-1-yl]piperazine?
The canonical SMILES for 1-[3-(4-bromophenyl)cyclopent-2-en-1-yl]piperazine is Brc1ccc(C2=CC(N3CCNCC3)CC2)cc1.
What is the InChIKey of 1-[3-(4-bromophenyl)cyclopent-2-en-1-yl]piperazine?
The InChIKey is KMEDPXFWXAKDCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19BrN2/c16-14-4-1-12(2-5-14)13-3-6-15(11-13)18-9-7-17-8-10-18/h1-2,4-5,11,15,17H,3,6-10H2.
What are the key properties of 1-[3-(4-bromophenyl)cyclopent-2-en-1-yl]piperazine?
1-[3-(4-bromophenyl)cyclopent-2-en-1-yl]piperazine has a molecular weight of 307.23 g/mol, XLogP of 2.90, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(4-bromophenyl)cyclopent-2-en-1-yl]piperazine is sourced from PubChem (CID 82308639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).