1-benzyl-2-(4-chlorophenyl)piperazine

C17H19ClN2 — CID 22074529

IUPAC1-benzyl-2-(4-chlorophenyl)piperazine
SMILESClc1ccc(C2CNCCN2Cc2ccccc2)cc1
InChIInChI=1S/C17H19ClN2/c18-16-8-6-15(7-9-16)17-12-19-10-11-20(17)13-14-4-2-1-3-5-14/h1-9,17,19H,10-13H2
InChIKeyRLEGLIZSGGHFEW-UHFFFAOYSA-N
MW286.81 g/mol
LogP3.49
Rot. Bonds3

About 1-benzyl-2-(4-chlorophenyl)piperazine

1-benzyl-2-(4-chlorophenyl)piperazine (PubChem CID 22074529) has the molecular formula C17H19ClN2 and a molecular weight of 286.81 g/mol. Its IUPAC name is 1-benzyl-2-(4-chlorophenyl)piperazine.

Molecular Properties

Compound Name1-benzyl-2-(4-chlorophenyl)piperazine
PubChem CID22074529
Molecular FormulaC17H19ClN2
Molecular Weight286.81 g/mol
Exact Mass286.12
IUPAC Name1-benzyl-2-(4-chlorophenyl)piperazine
SMILESClc1ccc(C2CNCCN2Cc2ccccc2)cc1
InChIInChI=1S/C17H19ClN2/c18-16-8-6-15(7-9-16)17-12-19-10-11-20(17)13-14-4-2-1-3-5-14/h1-9,17,19H,10-13H2
InChIKeyRLEGLIZSGGHFEW-UHFFFAOYSA-N
XLogP3.49
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.81
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-benzyl-2-(4-chlorophenyl)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

(2R)-1-benzyl-2-(4-methoxyphenyl)piperazine
CID 99906556
1-(4-chlorophenyl)-2-(2-phenylpiperazin-1-yl)ethanol;dihydrochloride
CID 21292088
4-(1-benzylpiperazin-2-yl)-6-chloropyrimidin-2-amine
CID 141185058
(2S)-1-benzyl-2-bromopiperazine
CID 150249323
3-[[2-(3-chlorophenyl)piperazin-1-yl]methyl]phenol;hydrochloride
CID 120780112
1-(4-chlorophenyl)-2-phenylpiperazine
CID 64939172
2-(3-chlorophenyl)-1-(pyridin-3-ylmethyl)piperazine
CID 120780257
2,4-bis(1-benzylpiperazin-2-yl)-6-chloropyrimidine
CID 54564214
2-[3-[(2-phenylpiperazin-1-yl)methyl]phenoxy]ethanol
CID 110109139
2-[3-[[(2R)-2-phenylpiperazin-1-yl]methyl]phenoxy]ethanol
CID 125007699
2-(4-methoxyphenyl)-1-(pyridin-4-ylmethyl)piperazine
CID 110109334
1-[(1-benzylimidazol-2-yl)methyl]-2-pyridin-4-ylpiperazine;hydrochloride
CID 120910621

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-2-(4-chlorophenyl)piperazine?
The IUPAC name of 1-benzyl-2-(4-chlorophenyl)piperazine (CID 22074529) is 1-benzyl-2-(4-chlorophenyl)piperazine.
What is the SMILES notation for 1-benzyl-2-(4-chlorophenyl)piperazine?
The canonical SMILES for 1-benzyl-2-(4-chlorophenyl)piperazine is Clc1ccc(C2CNCCN2Cc2ccccc2)cc1.
What is the InChIKey of 1-benzyl-2-(4-chlorophenyl)piperazine?
The InChIKey is RLEGLIZSGGHFEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClN2/c18-16-8-6-15(7-9-16)17-12-19-10-11-20(17)13-14-4-2-1-3-5-14/h1-9,17,19H,10-13H2.
What are the key properties of 1-benzyl-2-(4-chlorophenyl)piperazine?
1-benzyl-2-(4-chlorophenyl)piperazine has a molecular weight of 286.81 g/mol, XLogP of 3.49, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-2-(4-chlorophenyl)piperazine is sourced from PubChem (CID 22074529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).