2-(4-ethylphenyl)-1-[(1-phenyltetrazol-5-yl)methyl]piperazine;hydrochloride

C20H25ClN6 — CID 120758112

IUPAC2-(4-ethylphenyl)-1-[(1-phenyltetrazol-5-yl)methyl]piperazine;hydrochloride
SMILESCCc1ccc(C2CNCCN2Cc2nnnn2-c2ccccc2)cc1.Cl
InChIInChI=1S/C20H24N6.ClH/c1-2-16-8-10-17(11-9-16)19-14-21-12-13-25(19)15-20-22-23-24-26(20)18-6-4-3-5-7-18;/h3-11,19,21H,2,12-15H2,1H3;1H
InChIKeyUCHPMILCGUSCMB-UHFFFAOYSA-N
MW384.92 g/mol
LogP2.79
Rot. Bonds5

About 2-(4-ethylphenyl)-1-[(1-phenyltetrazol-5-yl)methyl]piperazine;hydrochloride

2-(4-ethylphenyl)-1-[(1-phenyltetrazol-5-yl)methyl]piperazine;hydrochloride (PubChem CID 120758112) has the molecular formula C20H25ClN6 and a molecular weight of 384.92 g/mol. Its IUPAC name is 2-(4-ethylphenyl)-1-[(1-phenyltetrazol-5-yl)methyl]piperazine;hydrochloride.

Molecular Properties

Compound Name2-(4-ethylphenyl)-1-[(1-phenyltetrazol-5-yl)methyl]piperazine;hydrochloride
PubChem CID120758112
Molecular FormulaC20H25ClN6
Molecular Weight384.92 g/mol
Exact Mass384.18
IUPAC Name2-(4-ethylphenyl)-1-[(1-phenyltetrazol-5-yl)methyl]piperazine;hydrochloride
SMILESCCc1ccc(C2CNCCN2Cc2nnnn2-c2ccccc2)cc1.Cl
InChIInChI=1S/C20H24N6.ClH/c1-2-16-8-10-17(11-9-16)19-14-21-12-13-25(19)15-20-22-23-24-26(20)18-6-4-3-5-7-18;/h3-11,19,21H,2,12-15H2,1H3;1H
InChIKeyUCHPMILCGUSCMB-UHFFFAOYSA-N
XLogP2.79
TPSA58.87 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.92
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(1-methylimidazol-2-yl)-1-[(1-phenyltetrazol-5-yl)methyl]piperazine
CID 120870731
2-(3-chlorophenyl)-1-[2-(1-phenyltetrazol-5-yl)ethyl]piperazine;hydrochloride
CID 120771011
4-[[2-(4-ethylphenyl)piperazin-1-yl]methyl]benzamide;hydrochloride
CID 120758148
2-(4-ethylphenyl)-1-[(3-methyl-2-pyridinyl)methyl]piperazine;hydrochloride
CID 120769097
2-[[2-(4-ethylphenyl)piperazin-1-yl]methyl]-1,3-thiazole;hydrochloride
CID 120769103
2-[[2-(4-ethylphenyl)piperazin-1-yl]methyl]-5-methylpyrazine;dihydrochloride
CID 120758162
3-[[2-(4-ethylphenyl)piperazin-1-yl]methyl]-5-methyl-1,2-oxazole;hydrochloride
CID 120758108
1-[(1-tert-butyltriazol-4-yl)methyl]-2-(4-ethylphenyl)piperazine
CID 120846597
5-benzyl-3-[[2-(4-ethylphenyl)piperazin-1-yl]methyl]-1,2,4-oxadiazole
CID 120758013
2-(4-ethylphenyl)-1-[(2-methylpyrazol-3-yl)methyl]piperazine
CID 120769132
5-[[2-(4-ethylphenyl)piperazin-1-yl]methyl]-4-methyl-1,3-thiazole;hydrochloride
CID 120769011
2-(4-ethylphenyl)-1-[(1-propan-2-ylpyrazol-4-yl)methyl]piperazine;hydrochloride
CID 120769087

Frequently Asked Questions

What is the IUPAC name of 2-(4-ethylphenyl)-1-[(1-phenyltetrazol-5-yl)methyl]piperazine;hydrochloride?
The IUPAC name of 2-(4-ethylphenyl)-1-[(1-phenyltetrazol-5-yl)methyl]piperazine;hydrochloride (CID 120758112) is 2-(4-ethylphenyl)-1-[(1-phenyltetrazol-5-yl)methyl]piperazine;hydrochloride.
What is the SMILES notation for 2-(4-ethylphenyl)-1-[(1-phenyltetrazol-5-yl)methyl]piperazine;hydrochloride?
The canonical SMILES for 2-(4-ethylphenyl)-1-[(1-phenyltetrazol-5-yl)methyl]piperazine;hydrochloride is CCc1ccc(C2CNCCN2Cc2nnnn2-c2ccccc2)cc1.Cl.
What is the InChIKey of 2-(4-ethylphenyl)-1-[(1-phenyltetrazol-5-yl)methyl]piperazine;hydrochloride?
The InChIKey is UCHPMILCGUSCMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N6.ClH/c1-2-16-8-10-17(11-9-16)19-14-21-12-13-25(19)15-20-22-23-24-26(20)18-6-4-3-5-7-18;/h3-11,19,21H,2,12-15H2,1H3;1H.
What are the key properties of 2-(4-ethylphenyl)-1-[(1-phenyltetrazol-5-yl)methyl]piperazine;hydrochloride?
2-(4-ethylphenyl)-1-[(1-phenyltetrazol-5-yl)methyl]piperazine;hydrochloride has a molecular weight of 384.92 g/mol, XLogP of 2.79, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethylphenyl)-1-[(1-phenyltetrazol-5-yl)methyl]piperazine;hydrochloride is sourced from PubChem (CID 120758112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).