1-benzyl-4-[(2,5-dimethoxyphenyl)-[1-(2-methylbutan-2-yl)tetrazol-5-yl]methyl]piperazine

C26H36N6O2 — CID 3209195

IUPAC1-benzyl-4-[(2,5-dimethoxyphenyl)-[1-(2-methylbutan-2-yl)tetrazol-5-yl]methyl]piperazine
SMILESCCC(C)(C)n1nnnc1C(c1cc(OC)ccc1OC)N1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C26H36N6O2/c1-6-26(2,3)32-25(27-28-29-32)24(22-18-21(33-4)12-13-23(22)34-5)31-16-14-30(15-17-31)19-20-10-8-7-9-11-20/h7-13,18,24H,6,14-17,19H2,1-5H3
InChIKeyANONKCYVOGEEKP-UHFFFAOYSA-N
MW464.61 g/mol
LogP3.74
Rot. Bonds9

About 1-benzyl-4-[(2,5-dimethoxyphenyl)-[1-(2-methylbutan-2-yl)tetrazol-5-yl]methyl]piperazine

1-benzyl-4-[(2,5-dimethoxyphenyl)-[1-(2-methylbutan-2-yl)tetrazol-5-yl]methyl]piperazine (PubChem CID 3209195) has the molecular formula C26H36N6O2 and a molecular weight of 464.61 g/mol. Its IUPAC name is 1-benzyl-4-[(2,5-dimethoxyphenyl)-[1-(2-methylbutan-2-yl)tetrazol-5-yl]methyl]piperazine.

Molecular Properties

Compound Name1-benzyl-4-[(2,5-dimethoxyphenyl)-[1-(2-methylbutan-2-yl)tetrazol-5-yl]methyl]piperazine
PubChem CID3209195
Molecular FormulaC26H36N6O2
Molecular Weight464.61 g/mol
Exact Mass464.29
IUPAC Name1-benzyl-4-[(2,5-dimethoxyphenyl)-[1-(2-methylbutan-2-yl)tetrazol-5-yl]methyl]piperazine
SMILESCCC(C)(C)n1nnnc1C(c1cc(OC)ccc1OC)N1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C26H36N6O2/c1-6-26(2,3)32-25(27-28-29-32)24(22-18-21(33-4)12-13-23(22)34-5)31-16-14-30(15-17-31)19-20-10-8-7-9-11-20/h7-13,18,24H,6,14-17,19H2,1-5H3
InChIKeyANONKCYVOGEEKP-UHFFFAOYSA-N
XLogP3.74
TPSA68.54 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.61
LogP ≤ 53.74
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-benzyl-1H-tetrazol-5-yl)(3-(difluoromethoxy)phenyl)methyl)-4-cyclobutyl-1,4-diazepane
CID 44160009
1-[(1-tert-Butyl-1H-tetrazol-5-yl)-(2,3-dimethoxy-phenyl)-methyl]-4-cyclohexyl-piperazine
CID 645920
1-[(1-tert-Butyl-1H-tetrazol-5-yl)-(2-methoxy-phenyl)-methyl]-azepane
CID 646332
1-[(1-Cyclopentyl-1H-tetrazol-5-yl)-(2,5-dimethoxy-phenyl)-methyl]-4-(4-fluoro-phenyl)-piperazine
CID 649079
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-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-Methoxy-phenyl)-(1-phenethyl-1H-tetrazol-5-yl)-methyl]-azepane
CID 3229264
2-{(2,5-Dimethoxy-phenyl)-[1-(2-methoxy-ethyl)-1H-tetrazol-5-yl]-methyl}-1,2,3,4-tetrahydro-isoquinoline
CID 6602592
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-benzyl-4-[(2,5-dimethoxyphenyl)-[1-(2-methylbutan-2-yl)tetrazol-5-yl]methyl]piperazine?
The IUPAC name of 1-benzyl-4-[(2,5-dimethoxyphenyl)-[1-(2-methylbutan-2-yl)tetrazol-5-yl]methyl]piperazine (CID 3209195) is 1-benzyl-4-[(2,5-dimethoxyphenyl)-[1-(2-methylbutan-2-yl)tetrazol-5-yl]methyl]piperazine.
What is the SMILES notation for 1-benzyl-4-[(2,5-dimethoxyphenyl)-[1-(2-methylbutan-2-yl)tetrazol-5-yl]methyl]piperazine?
The canonical SMILES for 1-benzyl-4-[(2,5-dimethoxyphenyl)-[1-(2-methylbutan-2-yl)tetrazol-5-yl]methyl]piperazine is CCC(C)(C)n1nnnc1C(c1cc(OC)ccc1OC)N1CCN(Cc2ccccc2)CC1.
What is the InChIKey of 1-benzyl-4-[(2,5-dimethoxyphenyl)-[1-(2-methylbutan-2-yl)tetrazol-5-yl]methyl]piperazine?
The InChIKey is ANONKCYVOGEEKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H36N6O2/c1-6-26(2,3)32-25(27-28-29-32)24(22-18-21(33-4)12-13-23(22)34-5)31-16-14-30(15-17-31)19-20-10-8-7-9-11-20/h7-13,18,24H,6,14-17,19H2,1-5H3.
What are the key properties of 1-benzyl-4-[(2,5-dimethoxyphenyl)-[1-(2-methylbutan-2-yl)tetrazol-5-yl]methyl]piperazine?
1-benzyl-4-[(2,5-dimethoxyphenyl)-[1-(2-methylbutan-2-yl)tetrazol-5-yl]methyl]piperazine has a molecular weight of 464.61 g/mol, XLogP of 3.74, 9 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-4-[(2,5-dimethoxyphenyl)-[1-(2-methylbutan-2-yl)tetrazol-5-yl]methyl]piperazine is sourced from PubChem (CID 3209195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).