1-benzyl-4-[[5-(2-chlorophenyl)tetrazol-2-yl]methyl]piperazine

C19H21ClN6 — CID 17428992

IUPAC1-benzyl-4-[[5-(2-chlorophenyl)tetrazol-2-yl]methyl]piperazine
SMILESClc1ccccc1-c1nnn(CN2CCN(Cc3ccccc3)CC2)n1
InChIInChI=1S/C19H21ClN6/c20-18-9-5-4-8-17(18)19-21-23-26(22-19)15-25-12-10-24(11-13-25)14-16-6-2-1-3-7-16/h1-9H,10-15H2
InChIKeyYXHDIPCGZFKYQO-UHFFFAOYSA-N
MW368.87 g/mol
LogP2.77
Rot. Bonds5

About 1-benzyl-4-[[5-(2-chlorophenyl)tetrazol-2-yl]methyl]piperazine

1-benzyl-4-[[5-(2-chlorophenyl)tetrazol-2-yl]methyl]piperazine (PubChem CID 17428992) has the molecular formula C19H21ClN6 and a molecular weight of 368.87 g/mol. Its IUPAC name is 1-benzyl-4-[[5-(2-chlorophenyl)tetrazol-2-yl]methyl]piperazine.

Molecular Properties

Compound Name1-benzyl-4-[[5-(2-chlorophenyl)tetrazol-2-yl]methyl]piperazine
PubChem CID17428992
Molecular FormulaC19H21ClN6
Molecular Weight368.87 g/mol
Exact Mass368.15
IUPAC Name1-benzyl-4-[[5-(2-chlorophenyl)tetrazol-2-yl]methyl]piperazine
SMILESClc1ccccc1-c1nnn(CN2CCN(Cc3ccccc3)CC2)n1
InChIInChI=1S/C19H21ClN6/c20-18-9-5-4-8-17(18)19-21-23-26(22-19)15-25-12-10-24(11-13-25)14-16-6-2-1-3-7-16/h1-9H,10-15H2
InChIKeyYXHDIPCGZFKYQO-UHFFFAOYSA-N
XLogP2.77
TPSA50.08 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.87
LogP ≤ 52.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-benzyl-5-(2-chlorophenyl)tetrazole
CID 4809386
5-(2-chlorophenyl)-2-(2-phenylethyl)tetrazole
CID 8685521
5-(2-chlorophenyl)-2-(3-phenylpropyl)tetrazole
CID 56974037
5-(2-chlorophenyl)-2-[(3-methylphenyl)methyl]tetrazole
CID 7702797
2-[(4-benzylpiperazin-1-yl)methyl]-5-(2-chlorophenyl)-4-methyl-1,2,4-triazole-3-thione
CID 30743447
2-[(2-chloro-6-fluorophenyl)methyl]-5-(2-chlorophenyl)tetrazole
CID 4809389
1,4,7,10-tetrabenzyl-1,4,7,10-tetrazacyclododecane
CID 160853215
2-[5-(2-chlorophenyl)tetrazol-2-yl]acetate
CID 6922149
[4-[(3-chlorophenyl)methyl]piperazin-1-yl]-[1-[(5-phenyltetrazol-2-yl)methyl]pyrazol-3-yl]methanone
CID 19472615
[4-[(3,4-dichlorophenyl)methyl]piperazin-1-yl]-[1-[(5-phenyltetrazol-2-yl)methyl]pyrazol-3-yl]methanone
CID 19472612
2-[5-(2-chlorophenyl)tetrazol-2-yl]-N-methyl-N-phenylacetamide
CID 4810015
2-[5-(2-chlorophenyl)tetrazol-2-yl]-N-(4-phenylbutan-2-yl)acetamide
CID 4810024

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-4-[[5-(2-chlorophenyl)tetrazol-2-yl]methyl]piperazine?
The IUPAC name of 1-benzyl-4-[[5-(2-chlorophenyl)tetrazol-2-yl]methyl]piperazine (CID 17428992) is 1-benzyl-4-[[5-(2-chlorophenyl)tetrazol-2-yl]methyl]piperazine.
What is the SMILES notation for 1-benzyl-4-[[5-(2-chlorophenyl)tetrazol-2-yl]methyl]piperazine?
The canonical SMILES for 1-benzyl-4-[[5-(2-chlorophenyl)tetrazol-2-yl]methyl]piperazine is Clc1ccccc1-c1nnn(CN2CCN(Cc3ccccc3)CC2)n1.
What is the InChIKey of 1-benzyl-4-[[5-(2-chlorophenyl)tetrazol-2-yl]methyl]piperazine?
The InChIKey is YXHDIPCGZFKYQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21ClN6/c20-18-9-5-4-8-17(18)19-21-23-26(22-19)15-25-12-10-24(11-13-25)14-16-6-2-1-3-7-16/h1-9H,10-15H2.
What are the key properties of 1-benzyl-4-[[5-(2-chlorophenyl)tetrazol-2-yl]methyl]piperazine?
1-benzyl-4-[[5-(2-chlorophenyl)tetrazol-2-yl]methyl]piperazine has a molecular weight of 368.87 g/mol, XLogP of 2.77, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-4-[[5-(2-chlorophenyl)tetrazol-2-yl]methyl]piperazine is sourced from PubChem (CID 17428992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).