1-cyclopentyl-4-[(3,4-dimethoxyphenyl)-[1-(2-phenylethyl)tetrazol-5-yl]methyl]piperazine;hydrochloride

C27H37ClN6O2 — CID 6603005

IUPAC1-cyclopentyl-4-[(3,4-dimethoxyphenyl)-[1-(2-phenylethyl)tetrazol-5-yl]methyl]piperazine;hydrochloride
SMILESCOc1ccc(C(c2nnnn2CCc2ccccc2)N2CCN(C3CCCC3)CC2)cc1OC.Cl
InChIInChI=1S/C27H36N6O2.ClH/c1-34-24-13-12-22(20-25(24)35-2)26(32-18-16-31(17-19-32)23-10-6-7-11-23)27-28-29-30-33(27)15-14-21-8-4-3-5-9-21;/h3-5,8-9,12-13,20,23,26H,6-7,10-11,14-19H2,1-2H3;1H
InChIKeyAOKBRXJWZBHQLA-UHFFFAOYSA-N
MW513.09 g/mol
LogP4.00
Rot. Bonds9

About 1-cyclopentyl-4-[(3,4-dimethoxyphenyl)-[1-(2-phenylethyl)tetrazol-5-yl]methyl]piperazine;hydrochloride

1-cyclopentyl-4-[(3,4-dimethoxyphenyl)-[1-(2-phenylethyl)tetrazol-5-yl]methyl]piperazine;hydrochloride (PubChem CID 6603005) has the molecular formula C27H37ClN6O2 and a molecular weight of 513.09 g/mol. Its IUPAC name is 1-cyclopentyl-4-[(3,4-dimethoxyphenyl)-[1-(2-phenylethyl)tetrazol-5-yl]methyl]piperazine;hydrochloride.

Molecular Properties

Compound Name1-cyclopentyl-4-[(3,4-dimethoxyphenyl)-[1-(2-phenylethyl)tetrazol-5-yl]methyl]piperazine;hydrochloride
PubChem CID6603005
Molecular FormulaC27H37ClN6O2
Molecular Weight513.09 g/mol
Exact Mass512.27
IUPAC Name1-cyclopentyl-4-[(3,4-dimethoxyphenyl)-[1-(2-phenylethyl)tetrazol-5-yl]methyl]piperazine;hydrochloride
SMILESCOc1ccc(C(c2nnnn2CCc2ccccc2)N2CCN(C3CCCC3)CC2)cc1OC.Cl
InChIInChI=1S/C27H36N6O2.ClH/c1-34-24-13-12-22(20-25(24)35-2)26(32-18-16-31(17-19-32)23-10-6-7-11-23)27-28-29-30-33(27)15-14-21-8-4-3-5-9-21;/h3-5,8-9,12-13,20,23,26H,6-7,10-11,14-19H2,1-2H3;1H
InChIKeyAOKBRXJWZBHQLA-UHFFFAOYSA-N
XLogP4.00
TPSA68.54 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500513.09
LogP ≤ 54.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 1-cyclopentyl-4-[(3,4-dimethoxyphenyl)-[1-(2-phenylethyl)tetrazol-5-yl]methyl]piperazine;hydrochloride with MolForge

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Related Compounds

2-[1-(4-Methoxy-benzyl)-1H-tetrazol-5-ylmethyl]-1,2,3,4-tetrahydro-isoquinoline
CID 9549627
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-(1-Benzo[1,3]dioxol-5-ylmethyl-1H-tetrazol-5-yl)-propyl]-4-(4-methoxy-phenyl)-piperazine
CID 649584
1-Benzo[1,3]dioxol-5-ylmethyl-4-[1-(1-benzyl-1H-tetrazol-5-yl)-2-methyl-propyl]-piperazine
CID 649639
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-Cyclopentyl-1H-tetrazol-5-yl)-(4-methoxy-phenyl)-methyl]-4-phenyl-piperazine
CID 3208764
1-Benzyl-4-[(2,5-dimethoxyphenyl)-[1-(2-methylbutan-2-yl)tetrazol-5-yl]methyl]piperazine
CID 3209195
1-[(1-Benzyl-1H-tetrazol-5-yl)-(2,3-dimethoxy-phenyl)-methyl]-4-cyclopentyl-piperazine
CID 6602633

Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-4-[(3,4-dimethoxyphenyl)-[1-(2-phenylethyl)tetrazol-5-yl]methyl]piperazine;hydrochloride?
The IUPAC name of 1-cyclopentyl-4-[(3,4-dimethoxyphenyl)-[1-(2-phenylethyl)tetrazol-5-yl]methyl]piperazine;hydrochloride (CID 6603005) is 1-cyclopentyl-4-[(3,4-dimethoxyphenyl)-[1-(2-phenylethyl)tetrazol-5-yl]methyl]piperazine;hydrochloride.
What is the SMILES notation for 1-cyclopentyl-4-[(3,4-dimethoxyphenyl)-[1-(2-phenylethyl)tetrazol-5-yl]methyl]piperazine;hydrochloride?
The canonical SMILES for 1-cyclopentyl-4-[(3,4-dimethoxyphenyl)-[1-(2-phenylethyl)tetrazol-5-yl]methyl]piperazine;hydrochloride is COc1ccc(C(c2nnnn2CCc2ccccc2)N2CCN(C3CCCC3)CC2)cc1OC.Cl.
What is the InChIKey of 1-cyclopentyl-4-[(3,4-dimethoxyphenyl)-[1-(2-phenylethyl)tetrazol-5-yl]methyl]piperazine;hydrochloride?
The InChIKey is AOKBRXJWZBHQLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H36N6O2.ClH/c1-34-24-13-12-22(20-25(24)35-2)26(32-18-16-31(17-19-32)23-10-6-7-11-23)27-28-29-30-33(27)15-14-21-8-4-3-5-9-21;/h3-5,8-9,12-13,20,23,26H,6-7,10-11,14-19H2,1-2H3;1H.
What are the key properties of 1-cyclopentyl-4-[(3,4-dimethoxyphenyl)-[1-(2-phenylethyl)tetrazol-5-yl]methyl]piperazine;hydrochloride?
1-cyclopentyl-4-[(3,4-dimethoxyphenyl)-[1-(2-phenylethyl)tetrazol-5-yl]methyl]piperazine;hydrochloride has a molecular weight of 513.09 g/mol, XLogP of 4.00, 9 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-4-[(3,4-dimethoxyphenyl)-[1-(2-phenylethyl)tetrazol-5-yl]methyl]piperazine;hydrochloride is sourced from PubChem (CID 6603005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).