1-[(1-cyclopentyltetrazol-5-yl)-(4-ethoxyphenyl)methyl]-4-ethylpiperazine;hydrochloride

C21H33ClN6O — CID 171668163

IUPAC1-[(1-cyclopentyltetrazol-5-yl)-(4-ethoxyphenyl)methyl]-4-ethylpiperazine;hydrochloride
SMILESCCOc1ccc(C(c2nnnn2C2CCCC2)N2CCN(CC)CC2)cc1.Cl
InChIInChI=1S/C21H32N6O.ClH/c1-3-25-13-15-26(16-14-25)20(17-9-11-19(12-10-17)28-4-2)21-22-23-24-27(21)18-7-5-6-8-18;/h9-12,18,20H,3-8,13-16H2,1-2H3;1H
InChIKeyABKPTOOBQXRBCY-UHFFFAOYSA-N
MW420.99 g/mol
LogP3.34
Rot. Bonds7

About 1-[(1-cyclopentyltetrazol-5-yl)-(4-ethoxyphenyl)methyl]-4-ethylpiperazine;hydrochloride

1-[(1-cyclopentyltetrazol-5-yl)-(4-ethoxyphenyl)methyl]-4-ethylpiperazine;hydrochloride (PubChem CID 171668163) has the molecular formula C21H33ClN6O and a molecular weight of 420.99 g/mol. Its IUPAC name is 1-[(1-cyclopentyltetrazol-5-yl)-(4-ethoxyphenyl)methyl]-4-ethylpiperazine;hydrochloride.

Molecular Properties

Compound Name1-[(1-cyclopentyltetrazol-5-yl)-(4-ethoxyphenyl)methyl]-4-ethylpiperazine;hydrochloride
PubChem CID171668163
Molecular FormulaC21H33ClN6O
Molecular Weight420.99 g/mol
Exact Mass420.24
IUPAC Name1-[(1-cyclopentyltetrazol-5-yl)-(4-ethoxyphenyl)methyl]-4-ethylpiperazine;hydrochloride
SMILESCCOc1ccc(C(c2nnnn2C2CCCC2)N2CCN(CC)CC2)cc1.Cl
InChIInChI=1S/C21H32N6O.ClH/c1-3-25-13-15-26(16-14-25)20(17-9-11-19(12-10-17)28-4-2)21-22-23-24-27(21)18-7-5-6-8-18;/h9-12,18,20H,3-8,13-16H2,1-2H3;1H
InChIKeyABKPTOOBQXRBCY-UHFFFAOYSA-N
XLogP3.34
TPSA59.31 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
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

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Related Compounds

1-[(1-cyclohexyltetrazol-5-yl)-(4-ethoxyphenyl)methyl]-4-methylpiperazine
CID 3208612
1-[(1-cyclohexyltetrazol-5-yl)-(4-fluorophenyl)methyl]-4-ethylpiperazine;hydrochloride
CID 171668115
1-[(1-cyclohexyltetrazol-5-yl)-(2-methoxyphenyl)methyl]-4-ethylpiperazine;hydrochloride
CID 6603625
1-[(1-cyclopentyltetrazol-5-yl)-(4-methoxyphenyl)methyl]-4-methylpiperazine
CID 3777246
1-[(S)-(1-cyclopentyltetrazol-5-yl)-(4-methoxyphenyl)methyl]-4-(pyridin-4-ylmethyl)piperazine
CID 92764820
1-[(S)-(1-tert-butyltetrazol-5-yl)-(4-ethoxyphenyl)methyl]-4-cyclohexylpiperazine
CID 1443976
1-[(R)-(1-benzyltetrazol-5-yl)-(4-ethoxyphenyl)methyl]-4-ethylpiperazine
CID 7396399
1-[(S)-(1-benzyltetrazol-5-yl)-(4-ethoxyphenyl)methyl]-4-cyclohexylpiperazine
CID 1446271
1-cyclohexyl-4-[(1-cyclohexyltetrazol-5-yl)-(4-methylphenyl)methyl]piperazine
CID 3208575
1-[(1-cyclohexyltetrazol-5-yl)-(4-fluorophenyl)methyl]-4-prop-2-enylpiperazine;hydrochloride
CID 171668116
1-[(S)-(1-cyclopentyltetrazol-5-yl)-phenylmethyl]-4-methylpiperazine
CID 858129
1-[(1-cyclopentyltetrazol-5-yl)-(4-fluorophenyl)methyl]-4-(pyridin-4-ylmethyl)piperazine;hydrochloride
CID 6603045

Frequently Asked Questions

What is the IUPAC name of 1-[(1-cyclopentyltetrazol-5-yl)-(4-ethoxyphenyl)methyl]-4-ethylpiperazine;hydrochloride?
The IUPAC name of 1-[(1-cyclopentyltetrazol-5-yl)-(4-ethoxyphenyl)methyl]-4-ethylpiperazine;hydrochloride (CID 171668163) is 1-[(1-cyclopentyltetrazol-5-yl)-(4-ethoxyphenyl)methyl]-4-ethylpiperazine;hydrochloride.
What is the SMILES notation for 1-[(1-cyclopentyltetrazol-5-yl)-(4-ethoxyphenyl)methyl]-4-ethylpiperazine;hydrochloride?
The canonical SMILES for 1-[(1-cyclopentyltetrazol-5-yl)-(4-ethoxyphenyl)methyl]-4-ethylpiperazine;hydrochloride is CCOc1ccc(C(c2nnnn2C2CCCC2)N2CCN(CC)CC2)cc1.Cl.
What is the InChIKey of 1-[(1-cyclopentyltetrazol-5-yl)-(4-ethoxyphenyl)methyl]-4-ethylpiperazine;hydrochloride?
The InChIKey is ABKPTOOBQXRBCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H32N6O.ClH/c1-3-25-13-15-26(16-14-25)20(17-9-11-19(12-10-17)28-4-2)21-22-23-24-27(21)18-7-5-6-8-18;/h9-12,18,20H,3-8,13-16H2,1-2H3;1H.
What are the key properties of 1-[(1-cyclopentyltetrazol-5-yl)-(4-ethoxyphenyl)methyl]-4-ethylpiperazine;hydrochloride?
1-[(1-cyclopentyltetrazol-5-yl)-(4-ethoxyphenyl)methyl]-4-ethylpiperazine;hydrochloride has a molecular weight of 420.99 g/mol, XLogP of 3.34, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1-cyclopentyltetrazol-5-yl)-(4-ethoxyphenyl)methyl]-4-ethylpiperazine;hydrochloride is sourced from PubChem (CID 171668163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).