1-[(1-cyclohexyltetrazol-5-yl)-(2-methoxyphenyl)methyl]-4-ethylpiperazine;hydrochloride

C21H33ClN6O — CID 6603625

IUPAC1-[(1-cyclohexyltetrazol-5-yl)-(2-methoxyphenyl)methyl]-4-ethylpiperazine;hydrochloride
SMILESCCN1CCN(C(c2ccccc2OC)c2nnnn2C2CCCCC2)CC1.Cl
InChIInChI=1S/C21H32N6O.ClH/c1-3-25-13-15-26(16-14-25)20(18-11-7-8-12-19(18)28-2)21-22-23-24-27(21)17-9-5-4-6-10-17;/h7-8,11-12,17,20H,3-6,9-10,13-16H2,1-2H3;1H
InChIKeyZNKHEWHSTKKFQA-UHFFFAOYSA-N
MW420.99 g/mol
LogP3.34
Rot. Bonds6

About 1-[(1-cyclohexyltetrazol-5-yl)-(2-methoxyphenyl)methyl]-4-ethylpiperazine;hydrochloride

1-[(1-cyclohexyltetrazol-5-yl)-(2-methoxyphenyl)methyl]-4-ethylpiperazine;hydrochloride (PubChem CID 6603625) has the molecular formula C21H33ClN6O and a molecular weight of 420.99 g/mol. Its IUPAC name is 1-[(1-cyclohexyltetrazol-5-yl)-(2-methoxyphenyl)methyl]-4-ethylpiperazine;hydrochloride.

Molecular Properties

Compound Name1-[(1-cyclohexyltetrazol-5-yl)-(2-methoxyphenyl)methyl]-4-ethylpiperazine;hydrochloride
PubChem CID6603625
Molecular FormulaC21H33ClN6O
Molecular Weight420.99 g/mol
Exact Mass420.24
IUPAC Name1-[(1-cyclohexyltetrazol-5-yl)-(2-methoxyphenyl)methyl]-4-ethylpiperazine;hydrochloride
SMILESCCN1CCN(C(c2ccccc2OC)c2nnnn2C2CCCCC2)CC1.Cl
InChIInChI=1S/C21H32N6O.ClH/c1-3-25-13-15-26(16-14-25)20(18-11-7-8-12-19(18)28-2)21-22-23-24-27(21)17-9-5-4-6-10-17;/h7-8,11-12,17,20H,3-6,9-10,13-16H2,1-2H3;1H
InChIKeyZNKHEWHSTKKFQA-UHFFFAOYSA-N
XLogP3.34
TPSA59.31 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.99
LogP ≤ 53.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 1-[(1-cyclohexyltetrazol-5-yl)-(2-methoxyphenyl)methyl]-4-ethylpiperazine;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

1-cyclohexyl-5-[(S)-(2-methoxyphenyl)-pyrrolidin-1-ylmethyl]tetrazole
CID 7436524
1-cyclohexyl-5-[(R)-(2-methoxyphenyl)-pyrrolidin-1-ylmethyl]tetrazole
CID 7436527
1-cyclohexyl-4-[(S)-(1-cyclopentyltetrazol-5-yl)-(2-methoxyphenyl)methyl]piperazine
CID 1443548
1-benzyl-4-[(R)-(1-cyclopentyltetrazol-5-yl)-(2-methoxyphenyl)methyl]piperazine
CID 51625541
1-[(S)-(1-cyclopentyltetrazol-5-yl)-(2-methoxyphenyl)methyl]-4-phenylpiperazine
CID 1443560
1-[(R)-(1-cyclohexyltetrazol-5-yl)-(2-methoxyphenyl)methyl]piperidine-4-carboxamide
CID 1443142
1-[(1-cyclopentyltetrazol-5-yl)-(4-ethoxyphenyl)methyl]-4-ethylpiperazine;hydrochloride
CID 171668163
1-[(1-cyclohexyltetrazol-5-yl)-(4-fluorophenyl)methyl]-4-ethylpiperazine;hydrochloride
CID 171668115
1-[(1-cyclohexyltetrazol-5-yl)-(2,3-dimethoxyphenyl)methyl]-4-phenylpiperazine
CID 3208651
3-[(S)-(1-cyclohexyltetrazol-5-yl)-(4-ethylpiperazin-1-yl)methyl]-6,7-dimethoxy-1H-quinolin-2-one
CID 1160597
1-ethyl-4-[(R)-[1-(2-methoxyethyl)tetrazol-5-yl]-(2-methoxyphenyl)methyl]piperazine
CID 7391642
1-ethyl-4-[(R)-(2-methoxyphenyl)-[1-(2-phenylethyl)tetrazol-5-yl]methyl]piperazine
CID 7397427

Frequently Asked Questions

What is the IUPAC name of 1-[(1-cyclohexyltetrazol-5-yl)-(2-methoxyphenyl)methyl]-4-ethylpiperazine;hydrochloride?
The IUPAC name of 1-[(1-cyclohexyltetrazol-5-yl)-(2-methoxyphenyl)methyl]-4-ethylpiperazine;hydrochloride (CID 6603625) is 1-[(1-cyclohexyltetrazol-5-yl)-(2-methoxyphenyl)methyl]-4-ethylpiperazine;hydrochloride.
What is the SMILES notation for 1-[(1-cyclohexyltetrazol-5-yl)-(2-methoxyphenyl)methyl]-4-ethylpiperazine;hydrochloride?
The canonical SMILES for 1-[(1-cyclohexyltetrazol-5-yl)-(2-methoxyphenyl)methyl]-4-ethylpiperazine;hydrochloride is CCN1CCN(C(c2ccccc2OC)c2nnnn2C2CCCCC2)CC1.Cl.
What is the InChIKey of 1-[(1-cyclohexyltetrazol-5-yl)-(2-methoxyphenyl)methyl]-4-ethylpiperazine;hydrochloride?
The InChIKey is ZNKHEWHSTKKFQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H32N6O.ClH/c1-3-25-13-15-26(16-14-25)20(18-11-7-8-12-19(18)28-2)21-22-23-24-27(21)17-9-5-4-6-10-17;/h7-8,11-12,17,20H,3-6,9-10,13-16H2,1-2H3;1H.
What are the key properties of 1-[(1-cyclohexyltetrazol-5-yl)-(2-methoxyphenyl)methyl]-4-ethylpiperazine;hydrochloride?
1-[(1-cyclohexyltetrazol-5-yl)-(2-methoxyphenyl)methyl]-4-ethylpiperazine;hydrochloride has a molecular weight of 420.99 g/mol, XLogP of 3.34, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1-cyclohexyltetrazol-5-yl)-(2-methoxyphenyl)methyl]-4-ethylpiperazine;hydrochloride is sourced from PubChem (CID 6603625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).