1-[(2,3-dimethoxyphenyl)-[1-(2-methylbutan-2-yl)tetrazol-5-yl]methyl]-4-(2-methoxyphenyl)piperazine

C26H36N6O3 — CID 3209185

IUPAC1-[(2,3-dimethoxyphenyl)-[1-(2-methylbutan-2-yl)tetrazol-5-yl]methyl]-4-(2-methoxyphenyl)piperazine
SMILESCCC(C)(C)n1nnnc1C(c1cccc(OC)c1OC)N1CCN(c2ccccc2OC)CC1
InChIInChI=1S/C26H36N6O3/c1-7-26(2,3)32-25(27-28-29-32)23(19-11-10-14-22(34-5)24(19)35-6)31-17-15-30(16-18-31)20-12-8-9-13-21(20)33-4/h8-14,23H,7,15-18H2,1-6H3
InChIKeyWVQXNUHLQWNEJJ-UHFFFAOYSA-N
MW480.61 g/mol
LogP3.76
Rot. Bonds9

About 1-[(2,3-dimethoxyphenyl)-[1-(2-methylbutan-2-yl)tetrazol-5-yl]methyl]-4-(2-methoxyphenyl)piperazine

1-[(2,3-dimethoxyphenyl)-[1-(2-methylbutan-2-yl)tetrazol-5-yl]methyl]-4-(2-methoxyphenyl)piperazine (PubChem CID 3209185) has the molecular formula C26H36N6O3 and a molecular weight of 480.61 g/mol. Its IUPAC name is 1-[(2,3-dimethoxyphenyl)-[1-(2-methylbutan-2-yl)tetrazol-5-yl]methyl]-4-(2-methoxyphenyl)piperazine.

Molecular Properties

Compound Name1-[(2,3-dimethoxyphenyl)-[1-(2-methylbutan-2-yl)tetrazol-5-yl]methyl]-4-(2-methoxyphenyl)piperazine
PubChem CID3209185
Molecular FormulaC26H36N6O3
Molecular Weight480.61 g/mol
Exact Mass480.28
IUPAC Name1-[(2,3-dimethoxyphenyl)-[1-(2-methylbutan-2-yl)tetrazol-5-yl]methyl]-4-(2-methoxyphenyl)piperazine
SMILESCCC(C)(C)n1nnnc1C(c1cccc(OC)c1OC)N1CCN(c2ccccc2OC)CC1
InChIInChI=1S/C26H36N6O3/c1-7-26(2,3)32-25(27-28-29-32)23(19-11-10-14-22(34-5)24(19)35-6)31-17-15-30(16-18-31)20-12-8-9-13-21(20)33-4/h8-14,23H,7,15-18H2,1-6H3
InChIKeyWVQXNUHLQWNEJJ-UHFFFAOYSA-N
XLogP3.76
TPSA77.77 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.61
LogP ≤ 53.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Analyze 1-[(2,3-dimethoxyphenyl)-[1-(2-methylbutan-2-yl)tetrazol-5-yl]methyl]-4-(2-methoxyphenyl)piperazine with MolForge

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Related Compounds

1-[(2-methoxyphenyl)-[1-(2-methylbutan-2-yl)tetrazol-5-yl]methyl]-4-methylpiperazine
CID 44753204
1-(4-methoxyphenyl)-4-[(2-methoxyphenyl)-[1-(2-methylbutan-2-yl)tetrazol-5-yl]methyl]piperazine
CID 3209154
1-[(R)-(1-tert-butyltetrazol-5-yl)-(2,4-dimethoxyphenyl)methyl]-4-(2-methoxyphenyl)piperazine
CID 1444056
1-[(1-tert-butyltetrazol-5-yl)-thiophen-2-ylmethyl]-4-(2-methoxyphenyl)piperazine
CID 3193621
3-[(S)-[4-(2-fluorophenyl)piperazin-1-yl]-[1-(2-methylbutan-2-yl)tetrazol-5-yl]methyl]-6,7-dimethoxy-1H-quinolin-2-one
CID 1160712
1-[(1S)-1-(1-tert-butyltetrazol-5-yl)-2-methylpropyl]-4-(2-methoxyphenyl)piperazine
CID 1443747
3-[(S)-(1-tert-butyltetrazol-5-yl)-[4-(2-methoxyphenyl)piperazin-1-yl]methyl]-6-ethyl-1H-quinolin-2-one
CID 1074174
1-[(S)-[1-[(4-fluorophenyl)methyl]tetrazol-5-yl]-(2-methoxyphenyl)methyl]-4-(2-methoxyphenyl)piperazine
CID 1446669
1-[(2,5-dimethoxyphenyl)-[1-(2-methylbutan-2-yl)tetrazol-5-yl]methyl]-4-methylpiperidine
CID 3201612
1-[(1-benzyltetrazol-5-yl)-(2,3-dimethoxyphenyl)methyl]-4-ethylpiperazine;hydrochloride
CID 171668406
1-[(R)-(1-tert-butyltetrazol-5-yl)-(3,4,5-trimethoxyphenyl)methyl]-4-(2-fluorophenyl)piperazine
CID 1444122
1-[(1-cyclohexyltetrazol-5-yl)-(2,3-dimethoxyphenyl)methyl]-4-phenylpiperazine
CID 3208651

Frequently Asked Questions

What is the IUPAC name of 1-[(2,3-dimethoxyphenyl)-[1-(2-methylbutan-2-yl)tetrazol-5-yl]methyl]-4-(2-methoxyphenyl)piperazine?
The IUPAC name of 1-[(2,3-dimethoxyphenyl)-[1-(2-methylbutan-2-yl)tetrazol-5-yl]methyl]-4-(2-methoxyphenyl)piperazine (CID 3209185) is 1-[(2,3-dimethoxyphenyl)-[1-(2-methylbutan-2-yl)tetrazol-5-yl]methyl]-4-(2-methoxyphenyl)piperazine.
What is the SMILES notation for 1-[(2,3-dimethoxyphenyl)-[1-(2-methylbutan-2-yl)tetrazol-5-yl]methyl]-4-(2-methoxyphenyl)piperazine?
The canonical SMILES for 1-[(2,3-dimethoxyphenyl)-[1-(2-methylbutan-2-yl)tetrazol-5-yl]methyl]-4-(2-methoxyphenyl)piperazine is CCC(C)(C)n1nnnc1C(c1cccc(OC)c1OC)N1CCN(c2ccccc2OC)CC1.
What is the InChIKey of 1-[(2,3-dimethoxyphenyl)-[1-(2-methylbutan-2-yl)tetrazol-5-yl]methyl]-4-(2-methoxyphenyl)piperazine?
The InChIKey is WVQXNUHLQWNEJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H36N6O3/c1-7-26(2,3)32-25(27-28-29-32)23(19-11-10-14-22(34-5)24(19)35-6)31-17-15-30(16-18-31)20-12-8-9-13-21(20)33-4/h8-14,23H,7,15-18H2,1-6H3.
What are the key properties of 1-[(2,3-dimethoxyphenyl)-[1-(2-methylbutan-2-yl)tetrazol-5-yl]methyl]-4-(2-methoxyphenyl)piperazine?
1-[(2,3-dimethoxyphenyl)-[1-(2-methylbutan-2-yl)tetrazol-5-yl]methyl]-4-(2-methoxyphenyl)piperazine has a molecular weight of 480.61 g/mol, XLogP of 3.76, 9 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2,3-dimethoxyphenyl)-[1-(2-methylbutan-2-yl)tetrazol-5-yl]methyl]-4-(2-methoxyphenyl)piperazine is sourced from PubChem (CID 3209185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).