1-(2-methoxyphenyl)-4-[1-[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]-2-methylpropyl]piperazine

C24H32N6O2 — CID 653912

IUPAC1-(2-methoxyphenyl)-4-[1-[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]-2-methylpropyl]piperazine
SMILESCOc1ccc(Cn2nnnc2C(C(C)C)N2CCN(c3ccccc3OC)CC2)cc1
InChIInChI=1S/C24H32N6O2/c1-18(2)23(24-25-26-27-30(24)17-19-9-11-20(31-3)12-10-19)29-15-13-28(14-16-29)21-7-5-6-8-22(21)32-4/h5-12,18,23H,13-17H2,1-4H3
InChIKeyNZHOHWSINPTXPQ-UHFFFAOYSA-N
MW436.56 g/mol
LogP3.26
Rot. Bonds8

About 1-(2-methoxyphenyl)-4-[1-[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]-2-methylpropyl]piperazine

1-(2-methoxyphenyl)-4-[1-[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]-2-methylpropyl]piperazine (PubChem CID 653912) has the molecular formula C24H32N6O2 and a molecular weight of 436.56 g/mol. Its IUPAC name is 1-(2-methoxyphenyl)-4-[1-[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]-2-methylpropyl]piperazine.

Molecular Properties

Compound Name1-(2-methoxyphenyl)-4-[1-[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]-2-methylpropyl]piperazine
PubChem CID653912
Molecular FormulaC24H32N6O2
Molecular Weight436.56 g/mol
Exact Mass436.26
IUPAC Name1-(2-methoxyphenyl)-4-[1-[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]-2-methylpropyl]piperazine
SMILESCOc1ccc(Cn2nnnc2C(C(C)C)N2CCN(c3ccccc3OC)CC2)cc1
InChIInChI=1S/C24H32N6O2/c1-18(2)23(24-25-26-27-30(24)17-19-9-11-20(31-3)12-10-19)29-15-13-28(14-16-29)21-7-5-6-8-22(21)32-4/h5-12,18,23H,13-17H2,1-4H3
InChIKeyNZHOHWSINPTXPQ-UHFFFAOYSA-N
XLogP3.26
TPSA68.54 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.56
LogP ≤ 53.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

1-{1-[1-(4-Methoxy-benzyl)-1H-tetrazol-5-yl]-butyl}-4-(2-methoxy-phenyl)-piperazine
CID 646026
1-[(2,3-Dimethoxy-phenyl)-(1-phenethyl-1H-tetrazol-5-yl)-methyl]-4-phenyl-piperazine
CID 650046
1-(4-Methoxy-phenyl)-4-[1-(1-phenethyl-1H-tetrazol-5-yl)-propyl]-piperazine
CID 646404
1-(2-Ethoxy-phenyl)-3-[9-(1-phenethyl-1H-tetrazol-5-ylmethyl)-9-aza-bicyclo[3.3.1]non-3-yl]-urea
CID 647224
1-{[1-(4-Fluoro-benzyl)-1H-tetrazol-5-yl]-phenyl-methyl}-4-(4-methoxy-phenyl)-piperazine
CID 648069
1-[(1-Cyclopentyl-1H-tetrazol-5-yl)-(2,5-dimethoxy-phenyl)-methyl]-4-(4-fluoro-phenyl)-piperazine
CID 649079
1-{(2,4-Dimethoxy-phenyl)-[1-(2-methoxy-ethyl)-1H-tetrazol-5-yl]-methyl}-4-phenyl-piperazine
CID 649413
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-[1-(4-Methoxy-benzyl)-1H-tetrazol-5-yl]-butyl}-4-phenyl-piperazine
CID 651378
1-[(1-Cyclohexyl-1H-tetrazol-5-yl)-(4-methoxy-phenyl)-methyl]-4-(2-fluoro-phenyl)-piperazine
CID 651386
1-{(4-Methoxy-phenyl)-[1-(tetrahydro-furan-2-ylmethyl)-1H-tetrazol-5-yl]-methyl}-4-phenyl-piperazine
CID 653553

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyphenyl)-4-[1-[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]-2-methylpropyl]piperazine?
The IUPAC name of 1-(2-methoxyphenyl)-4-[1-[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]-2-methylpropyl]piperazine (CID 653912) is 1-(2-methoxyphenyl)-4-[1-[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]-2-methylpropyl]piperazine.
What is the SMILES notation for 1-(2-methoxyphenyl)-4-[1-[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]-2-methylpropyl]piperazine?
The canonical SMILES for 1-(2-methoxyphenyl)-4-[1-[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]-2-methylpropyl]piperazine is COc1ccc(Cn2nnnc2C(C(C)C)N2CCN(c3ccccc3OC)CC2)cc1.
What is the InChIKey of 1-(2-methoxyphenyl)-4-[1-[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]-2-methylpropyl]piperazine?
The InChIKey is NZHOHWSINPTXPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32N6O2/c1-18(2)23(24-25-26-27-30(24)17-19-9-11-20(31-3)12-10-19)29-15-13-28(14-16-29)21-7-5-6-8-22(21)32-4/h5-12,18,23H,13-17H2,1-4H3.
What are the key properties of 1-(2-methoxyphenyl)-4-[1-[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]-2-methylpropyl]piperazine?
1-(2-methoxyphenyl)-4-[1-[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]-2-methylpropyl]piperazine has a molecular weight of 436.56 g/mol, XLogP of 3.26, 8 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyphenyl)-4-[1-[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]-2-methylpropyl]piperazine is sourced from PubChem (CID 653912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).