1-[(2-bromophenyl)methyl]-4-cyclopentylpiperazine

C16H23BrN2 — CID 7026530

IUPAC1-[(2-bromophenyl)methyl]-4-cyclopentylpiperazine
SMILESBrc1ccccc1CN1CCN(C2CCCC2)CC1
InChIInChI=1S/C16H23BrN2/c17-16-8-4-1-5-14(16)13-18-9-11-19(12-10-18)15-6-2-3-7-15/h1,4-5,8,15H,2-3,6-7,9-13H2
InChIKeyCISTZZYZKHXSBM-UHFFFAOYSA-N
MW323.28 g/mol
LogP3.51
Rot. Bonds3

About 1-[(2-bromophenyl)methyl]-4-cyclopentylpiperazine

1-[(2-bromophenyl)methyl]-4-cyclopentylpiperazine (PubChem CID 7026530) has the molecular formula C16H23BrN2 and a molecular weight of 323.28 g/mol. Its IUPAC name is 1-[(2-bromophenyl)methyl]-4-cyclopentylpiperazine.

Molecular Properties

Compound Name1-[(2-bromophenyl)methyl]-4-cyclopentylpiperazine
PubChem CID7026530
Molecular FormulaC16H23BrN2
Molecular Weight323.28 g/mol
Exact Mass322.10
IUPAC Name1-[(2-bromophenyl)methyl]-4-cyclopentylpiperazine
SMILESBrc1ccccc1CN1CCN(C2CCCC2)CC1
InChIInChI=1S/C16H23BrN2/c17-16-8-4-1-5-14(16)13-18-9-11-19(12-10-18)15-6-2-3-7-15/h1,4-5,8,15H,2-3,6-7,9-13H2
InChIKeyCISTZZYZKHXSBM-UHFFFAOYSA-N
XLogP3.51
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.28
LogP ≤ 53.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-[(2-bromophenyl)methyl]-4-cyclopentylpiperazine 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-[(2-bromophenyl)methyl]-4-cyclopentylpiperazine;oxalic acid
CID 90483831
1-[(2-bromophenyl)methyl]-4-[(1R,3S)-3-methylcyclohexyl]piperazine
CID 1360754
1-cyclopentyl-4-[(2-fluorophenyl)methyl]piperazine
CID 740956
1-[(2-bromophenyl)methyl]-4-(4-methylcyclohexyl)piperazine;oxalic acid
CID 2880126
4-bromo-3-[(4-cyclopentylpiperazin-1-yl)methyl]phenol
CID 82979839
1-[1-[(2-bromophenyl)methyl]piperidin-4-yl]-4-phenylpiperazine;oxalic acid
CID 17369209
2-[(4-cyclopentylpiperazin-1-yl)methyl]benzenecarbothioamide
CID 62368620
(3S,5S)-1-[1-[(2-bromophenyl)methyl]piperidin-4-yl]-3,5-dimethylpiperidine
CID 7026651
2-(2-bromophenyl)-1-(4-cycloheptylpiperazin-1-yl)ethanone
CID 113074946
1-[(2-chlorophenyl)methyl]-4-cyclopentylpiperazine;oxalic acid
CID 17366702
1-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]-4-[(2-bromophenyl)methyl]piperazine
CID 98125128
4-bromo-2-[(4-cyclopentylpiperazin-1-yl)methyl]phenol
CID 773084

Frequently Asked Questions

What is the IUPAC name of 1-[(2-bromophenyl)methyl]-4-cyclopentylpiperazine?
The IUPAC name of 1-[(2-bromophenyl)methyl]-4-cyclopentylpiperazine (CID 7026530) is 1-[(2-bromophenyl)methyl]-4-cyclopentylpiperazine.
What is the SMILES notation for 1-[(2-bromophenyl)methyl]-4-cyclopentylpiperazine?
The canonical SMILES for 1-[(2-bromophenyl)methyl]-4-cyclopentylpiperazine is Brc1ccccc1CN1CCN(C2CCCC2)CC1.
What is the InChIKey of 1-[(2-bromophenyl)methyl]-4-cyclopentylpiperazine?
The InChIKey is CISTZZYZKHXSBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23BrN2/c17-16-8-4-1-5-14(16)13-18-9-11-19(12-10-18)15-6-2-3-7-15/h1,4-5,8,15H,2-3,6-7,9-13H2.
What are the key properties of 1-[(2-bromophenyl)methyl]-4-cyclopentylpiperazine?
1-[(2-bromophenyl)methyl]-4-cyclopentylpiperazine has a molecular weight of 323.28 g/mol, XLogP of 3.51, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-bromophenyl)methyl]-4-cyclopentylpiperazine is sourced from PubChem (CID 7026530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).