1-[(1-benzyltetrazol-5-yl)-(2,3-dimethoxyphenyl)methyl]-4-cyclopentylpiperazine;hydrochloride

C26H35ClN6O2 — CID 6602633

IUPAC1-[(1-benzyltetrazol-5-yl)-(2,3-dimethoxyphenyl)methyl]-4-cyclopentylpiperazine;hydrochloride
SMILESCOc1cccc(C(c2nnnn2Cc2ccccc2)N2CCN(C3CCCC3)CC2)c1OC.Cl
InChIInChI=1S/C26H34N6O2.ClH/c1-33-23-14-8-13-22(25(23)34-2)24(31-17-15-30(16-18-31)21-11-6-7-12-21)26-27-28-29-32(26)19-20-9-4-3-5-10-20;/h3-5,8-10,13-14,21,24H,6-7,11-12,15-19H2,1-2H3;1H
InChIKeyOPQOMCHYGIFRET-UHFFFAOYSA-N
MW499.06 g/mol
LogP3.81
Rot. Bonds8

About 1-[(1-benzyltetrazol-5-yl)-(2,3-dimethoxyphenyl)methyl]-4-cyclopentylpiperazine;hydrochloride

1-[(1-benzyltetrazol-5-yl)-(2,3-dimethoxyphenyl)methyl]-4-cyclopentylpiperazine;hydrochloride (PubChem CID 6602633) has the molecular formula C26H35ClN6O2 and a molecular weight of 499.06 g/mol. Its IUPAC name is 1-[(1-benzyltetrazol-5-yl)-(2,3-dimethoxyphenyl)methyl]-4-cyclopentylpiperazine;hydrochloride.

Molecular Properties

Compound Name1-[(1-benzyltetrazol-5-yl)-(2,3-dimethoxyphenyl)methyl]-4-cyclopentylpiperazine;hydrochloride
PubChem CID6602633
Molecular FormulaC26H35ClN6O2
Molecular Weight499.06 g/mol
Exact Mass498.25
IUPAC Name1-[(1-benzyltetrazol-5-yl)-(2,3-dimethoxyphenyl)methyl]-4-cyclopentylpiperazine;hydrochloride
SMILESCOc1cccc(C(c2nnnn2Cc2ccccc2)N2CCN(C3CCCC3)CC2)c1OC.Cl
InChIInChI=1S/C26H34N6O2.ClH/c1-33-23-14-8-13-22(25(23)34-2)24(31-17-15-30(16-18-31)21-11-6-7-12-21)26-27-28-29-32(26)19-20-9-4-3-5-10-20;/h3-5,8-10,13-14,21,24H,6-7,11-12,15-19H2,1-2H3;1H
InChIKeyOPQOMCHYGIFRET-UHFFFAOYSA-N
XLogP3.81
TPSA68.54 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500499.06
LogP ≤ 53.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

1-[(2,3-Dimethoxy-phenyl)-(1-phenethyl-1H-tetrazol-5-yl)-methyl]-4-phenyl-piperazine
CID 650046
1-[(3,4-Dimethoxy-phenyl)-(1-phenethyl-1H-tetrazol-5-yl)-methyl]-4-methyl-piperazine
CID 654719
1-[(1-tert-Butyl-1H-tetrazol-5-yl)-(2,3-dimethoxy-phenyl)-methyl]-4-cyclohexyl-piperazine
CID 645920
1-[(1-Cyclopentyl-1H-tetrazol-5-yl)-(2,4-dimethoxy-phenyl)-methyl]-4-methyl-piperidine
CID 646517
1-[(1-Cyclopentyl-1H-tetrazol-5-yl)-(2,5-dimethoxy-phenyl)-methyl]-4-(4-fluoro-phenyl)-piperazine
CID 649079
1-Benzo[1,3]dioxol-5-ylmethyl-4-[1-(1-benzyl-1H-tetrazol-5-yl)-2-methyl-propyl]-piperazine
CID 649639
2-[(1-Cyclopentyl-1H-tetrazol-5-yl)-(2-methoxy-phenyl)-methyl]-octahydro-pyrrolo[1,2-a]pyrazine
CID 650070
1-{(3,4-Dimethoxy-phenyl)-[1-(1,1-dimethyl-propyl)-1H-tetrazol-5-yl]-methyl}-4-(3-methoxy-phenyl)-piperazine
CID 650371
1-{(3,4-Dimethoxy-phenyl)-[1-(1,1-dimethyl-propyl)-1H-tetrazol-5-yl]-methyl}-4-phenyl-piperazine
CID 650880
1-[(1-Benzyl-1H-tetrazol-5-yl)-(2,5-dimethoxy-phenyl)-methyl]-piperidine-4-carboxylic acid amide
CID 654515
1-{(2,3-Dimethoxy-phenyl)-[1-(toluene-4-sulfonylmethyl)-1H-tetrazol-5-yl]-methyl}-4-methyl-piperazine
CID 655693
1-Benzyl-4-[(2,5-dimethoxyphenyl)-[1-(2-methylbutan-2-yl)tetrazol-5-yl]methyl]piperazine
CID 3209195

Frequently Asked Questions

What is the IUPAC name of 1-[(1-benzyltetrazol-5-yl)-(2,3-dimethoxyphenyl)methyl]-4-cyclopentylpiperazine;hydrochloride?
The IUPAC name of 1-[(1-benzyltetrazol-5-yl)-(2,3-dimethoxyphenyl)methyl]-4-cyclopentylpiperazine;hydrochloride (CID 6602633) is 1-[(1-benzyltetrazol-5-yl)-(2,3-dimethoxyphenyl)methyl]-4-cyclopentylpiperazine;hydrochloride.
What is the SMILES notation for 1-[(1-benzyltetrazol-5-yl)-(2,3-dimethoxyphenyl)methyl]-4-cyclopentylpiperazine;hydrochloride?
The canonical SMILES for 1-[(1-benzyltetrazol-5-yl)-(2,3-dimethoxyphenyl)methyl]-4-cyclopentylpiperazine;hydrochloride is COc1cccc(C(c2nnnn2Cc2ccccc2)N2CCN(C3CCCC3)CC2)c1OC.Cl.
What is the InChIKey of 1-[(1-benzyltetrazol-5-yl)-(2,3-dimethoxyphenyl)methyl]-4-cyclopentylpiperazine;hydrochloride?
The InChIKey is OPQOMCHYGIFRET-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H34N6O2.ClH/c1-33-23-14-8-13-22(25(23)34-2)24(31-17-15-30(16-18-31)21-11-6-7-12-21)26-27-28-29-32(26)19-20-9-4-3-5-10-20;/h3-5,8-10,13-14,21,24H,6-7,11-12,15-19H2,1-2H3;1H.
What are the key properties of 1-[(1-benzyltetrazol-5-yl)-(2,3-dimethoxyphenyl)methyl]-4-cyclopentylpiperazine;hydrochloride?
1-[(1-benzyltetrazol-5-yl)-(2,3-dimethoxyphenyl)methyl]-4-cyclopentylpiperazine;hydrochloride has a molecular weight of 499.06 g/mol, XLogP of 3.81, 8 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1-benzyltetrazol-5-yl)-(2,3-dimethoxyphenyl)methyl]-4-cyclopentylpiperazine;hydrochloride is sourced from PubChem (CID 6602633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).