2-(3-chlorophenyl)-1-[2-(1-phenyltetrazol-5-yl)ethyl]piperazine;hydrochloride

C19H22Cl2N6 — CID 120771011

IUPAC2-(3-chlorophenyl)-1-[2-(1-phenyltetrazol-5-yl)ethyl]piperazine;hydrochloride
SMILESCl.Clc1cccc(C2CNCCN2CCc2nnnn2-c2ccccc2)c1
InChIInChI=1S/C19H21ClN6.ClH/c20-16-6-4-5-15(13-16)18-14-21-10-12-25(18)11-9-19-22-23-24-26(19)17-7-2-1-3-8-17;/h1-8,13,18,21H,9-12,14H2;1H
InChIKeyWLSWRRMZXICSEZ-UHFFFAOYSA-N
MW405.33 g/mol
LogP2.93
Rot. Bonds5

About 2-(3-chlorophenyl)-1-[2-(1-phenyltetrazol-5-yl)ethyl]piperazine;hydrochloride

2-(3-chlorophenyl)-1-[2-(1-phenyltetrazol-5-yl)ethyl]piperazine;hydrochloride (PubChem CID 120771011) has the molecular formula C19H22Cl2N6 and a molecular weight of 405.33 g/mol. Its IUPAC name is 2-(3-chlorophenyl)-1-[2-(1-phenyltetrazol-5-yl)ethyl]piperazine;hydrochloride.

Molecular Properties

Compound Name2-(3-chlorophenyl)-1-[2-(1-phenyltetrazol-5-yl)ethyl]piperazine;hydrochloride
PubChem CID120771011
Molecular FormulaC19H22Cl2N6
Molecular Weight405.33 g/mol
Exact Mass404.13
IUPAC Name2-(3-chlorophenyl)-1-[2-(1-phenyltetrazol-5-yl)ethyl]piperazine;hydrochloride
SMILESCl.Clc1cccc(C2CNCCN2CCc2nnnn2-c2ccccc2)c1
InChIInChI=1S/C19H21ClN6.ClH/c20-16-6-4-5-15(13-16)18-14-21-10-12-25(18)11-9-19-22-23-24-26(19)17-7-2-1-3-8-17;/h1-8,13,18,21H,9-12,14H2;1H
InChIKeyWLSWRRMZXICSEZ-UHFFFAOYSA-N
XLogP2.93
TPSA58.87 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.33
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-(3-chlorophenyl)-1-[2-(1-phenyltetrazol-5-yl)ethyl]piperazine;hydrochloride 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

2-(3-chlorophenyl)-1-[(1-cyclopropyltetrazol-5-yl)methyl]piperazine
CID 120770789
1-[2-(benzenesulfonyl)ethyl]-2-(3-chlorophenyl)piperazine;hydrochloride
CID 120770977
1-but-3-enyl-2-(3-chlorophenyl)piperazine;hydrochloride
CID 120771105
2-(4-ethylphenyl)-1-[(1-phenyltetrazol-5-yl)methyl]piperazine;hydrochloride
CID 120758112
1-[2-(benzenesulfonyl)ethyl]-2-(3-chlorophenyl)piperazine
CID 120770978
2-(3-chlorophenyl)-1-prop-2-enylpiperazine
CID 120770958
2-(3-chlorophenyl)-1-[2-(3-nitropyrazol-1-yl)ethyl]piperazine;hydrochloride
CID 120770850
2-(3-chlorophenyl)-1-(1H-pyrazol-5-ylmethyl)piperazine;hydrochloride
CID 120780214
2-(3-chlorophenyl)-1-[2-(oxolan-3-yl)ethyl]piperazine;hydrochloride
CID 120846874
2-(1-methylimidazol-2-yl)-1-[(1-phenyltetrazol-5-yl)methyl]piperazine
CID 120870731
5-[[2-(3-chlorophenyl)piperazin-1-yl]methyl]-3-phenyl-1,2,4-oxadiazole;hydrochloride
CID 120770738
2-(3-chlorophenyl)-1-[2-(3-nitropyrazol-1-yl)ethyl]piperazine
CID 120770851

Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenyl)-1-[2-(1-phenyltetrazol-5-yl)ethyl]piperazine;hydrochloride?
The IUPAC name of 2-(3-chlorophenyl)-1-[2-(1-phenyltetrazol-5-yl)ethyl]piperazine;hydrochloride (CID 120771011) is 2-(3-chlorophenyl)-1-[2-(1-phenyltetrazol-5-yl)ethyl]piperazine;hydrochloride.
What is the SMILES notation for 2-(3-chlorophenyl)-1-[2-(1-phenyltetrazol-5-yl)ethyl]piperazine;hydrochloride?
The canonical SMILES for 2-(3-chlorophenyl)-1-[2-(1-phenyltetrazol-5-yl)ethyl]piperazine;hydrochloride is Cl.Clc1cccc(C2CNCCN2CCc2nnnn2-c2ccccc2)c1.
What is the InChIKey of 2-(3-chlorophenyl)-1-[2-(1-phenyltetrazol-5-yl)ethyl]piperazine;hydrochloride?
The InChIKey is WLSWRRMZXICSEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21ClN6.ClH/c20-16-6-4-5-15(13-16)18-14-21-10-12-25(18)11-9-19-22-23-24-26(19)17-7-2-1-3-8-17;/h1-8,13,18,21H,9-12,14H2;1H.
What are the key properties of 2-(3-chlorophenyl)-1-[2-(1-phenyltetrazol-5-yl)ethyl]piperazine;hydrochloride?
2-(3-chlorophenyl)-1-[2-(1-phenyltetrazol-5-yl)ethyl]piperazine;hydrochloride has a molecular weight of 405.33 g/mol, XLogP of 2.93, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chlorophenyl)-1-[2-(1-phenyltetrazol-5-yl)ethyl]piperazine;hydrochloride is sourced from PubChem (CID 120771011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).