1-[(1-cyclohexyltetrazol-5-yl)-(4-ethoxyphenyl)methyl]-4-methylpiperazine

C21H32N6O — CID 3208612

IUPAC1-[(1-cyclohexyltetrazol-5-yl)-(4-ethoxyphenyl)methyl]-4-methylpiperazine
SMILESCCOc1ccc(C(c2nnnn2C2CCCCC2)N2CCN(C)CC2)cc1
InChIInChI=1S/C21H32N6O/c1-3-28-19-11-9-17(10-12-19)20(26-15-13-25(2)14-16-26)21-22-23-24-27(21)18-7-5-4-6-8-18/h9-12,18,20H,3-8,13-16H2,1-2H3
InChIKeyKTXOVRDNPZJSQQ-UHFFFAOYSA-N
MW384.53 g/mol
LogP2.91
Rot. Bonds6

About 1-[(1-cyclohexyltetrazol-5-yl)-(4-ethoxyphenyl)methyl]-4-methylpiperazine

1-[(1-cyclohexyltetrazol-5-yl)-(4-ethoxyphenyl)methyl]-4-methylpiperazine (PubChem CID 3208612) has the molecular formula C21H32N6O and a molecular weight of 384.53 g/mol. Its IUPAC name is 1-[(1-cyclohexyltetrazol-5-yl)-(4-ethoxyphenyl)methyl]-4-methylpiperazine.

Molecular Properties

Compound Name1-[(1-cyclohexyltetrazol-5-yl)-(4-ethoxyphenyl)methyl]-4-methylpiperazine
PubChem CID3208612
Molecular FormulaC21H32N6O
Molecular Weight384.53 g/mol
Exact Mass384.26
IUPAC Name1-[(1-cyclohexyltetrazol-5-yl)-(4-ethoxyphenyl)methyl]-4-methylpiperazine
SMILESCCOc1ccc(C(c2nnnn2C2CCCCC2)N2CCN(C)CC2)cc1
InChIInChI=1S/C21H32N6O/c1-3-28-19-11-9-17(10-12-19)20(26-15-13-25(2)14-16-26)21-22-23-24-27(21)18-7-5-4-6-8-18/h9-12,18,20H,3-8,13-16H2,1-2H3
InChIKeyKTXOVRDNPZJSQQ-UHFFFAOYSA-N
XLogP2.91
TPSA59.31 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.53
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

1-[(1-cyclopentyltetrazol-5-yl)-(4-ethoxyphenyl)methyl]-4-ethylpiperazine;hydrochloride
CID 171668163
1-[(1-cyclopentyltetrazol-5-yl)-(4-methoxyphenyl)methyl]-4-methylpiperazine
CID 3777246
1-[(S)-(1-cyclopentyltetrazol-5-yl)-phenylmethyl]-4-methylpiperazine
CID 858129
4-[(S)-(1-cyclohexyltetrazol-5-yl)-(4-methylpiperazin-1-yl)methyl]-N,N-dimethylaniline
CID 1433910
4-[(R)-(1-cyclohexyltetrazol-5-yl)-(4-methylpiperazin-1-yl)methyl]-N,N-dimethylaniline
CID 1433911
1-[(1-cyclohexyltetrazol-5-yl)-(3,4-dimethoxyphenyl)methyl]-4-methylpiperazine
CID 3201719
1-[(S)-(1-tert-butyltetrazol-5-yl)-(4-ethoxyphenyl)methyl]-4-cyclohexylpiperazine
CID 1443976
1-[(4-ethoxyphenyl)-[1-(2-methylbutan-2-yl)tetrazol-5-yl]methyl]-4-methylpiperazine
CID 3209139
1-[(S)-(1-benzyltetrazol-5-yl)-(4-ethoxyphenyl)methyl]-4-cyclohexylpiperazine
CID 1446271
1-[(1-cyclohexyltetrazol-5-yl)-(4-fluorophenyl)methyl]-4-ethylpiperazine;hydrochloride
CID 171668115
1-cyclohexyl-4-[(1-cyclohexyltetrazol-5-yl)-(4-methylphenyl)methyl]piperazine
CID 3208575
1-[(1-cyclopentyltetrazol-5-yl)-(4-fluorophenyl)methyl]piperidine
CID 3173834

Frequently Asked Questions

What is the IUPAC name of 1-[(1-cyclohexyltetrazol-5-yl)-(4-ethoxyphenyl)methyl]-4-methylpiperazine?
The IUPAC name of 1-[(1-cyclohexyltetrazol-5-yl)-(4-ethoxyphenyl)methyl]-4-methylpiperazine (CID 3208612) is 1-[(1-cyclohexyltetrazol-5-yl)-(4-ethoxyphenyl)methyl]-4-methylpiperazine.
What is the SMILES notation for 1-[(1-cyclohexyltetrazol-5-yl)-(4-ethoxyphenyl)methyl]-4-methylpiperazine?
The canonical SMILES for 1-[(1-cyclohexyltetrazol-5-yl)-(4-ethoxyphenyl)methyl]-4-methylpiperazine is CCOc1ccc(C(c2nnnn2C2CCCCC2)N2CCN(C)CC2)cc1.
What is the InChIKey of 1-[(1-cyclohexyltetrazol-5-yl)-(4-ethoxyphenyl)methyl]-4-methylpiperazine?
The InChIKey is KTXOVRDNPZJSQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H32N6O/c1-3-28-19-11-9-17(10-12-19)20(26-15-13-25(2)14-16-26)21-22-23-24-27(21)18-7-5-4-6-8-18/h9-12,18,20H,3-8,13-16H2,1-2H3.
What are the key properties of 1-[(1-cyclohexyltetrazol-5-yl)-(4-ethoxyphenyl)methyl]-4-methylpiperazine?
1-[(1-cyclohexyltetrazol-5-yl)-(4-ethoxyphenyl)methyl]-4-methylpiperazine has a molecular weight of 384.53 g/mol, XLogP of 2.91, 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)-(4-ethoxyphenyl)methyl]-4-methylpiperazine is sourced from PubChem (CID 3208612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).