1-[[1-(2,6-dimethylphenyl)tetrazol-5-yl]-(4-methoxyphenyl)methyl]-4-[(E)-3-phenylprop-2-enyl]piperazine

C30H34N6O — CID 11540510

IUPAC1-[[1-(2,6-dimethylphenyl)tetrazol-5-yl]-(4-methoxyphenyl)methyl]-4-[(E)-3-phenylprop-2-enyl]piperazine
SMILESCOc1ccc(C(c2nnnn2-c2c(C)cccc2C)N2CCN(C/C=C/c3ccccc3)CC2)cc1
InChIInChI=1S/C30H34N6O/c1-23-9-7-10-24(2)28(23)36-30(31-32-33-36)29(26-14-16-27(37-3)17-15-26)35-21-19-34(20-22-35)18-8-13-25-11-5-4-6-12-25/h4-17,29H,18-22H2,1-3H3/b13-8+
InChIKeyFQYCQBMKUMFSBZ-MDWZMJQESA-N
MW494.64 g/mol
LogP4.71
Rot. Bonds8

About 1-[[1-(2,6-dimethylphenyl)tetrazol-5-yl]-(4-methoxyphenyl)methyl]-4-[(E)-3-phenylprop-2-enyl]piperazine

1-[[1-(2,6-dimethylphenyl)tetrazol-5-yl]-(4-methoxyphenyl)methyl]-4-[(E)-3-phenylprop-2-enyl]piperazine (PubChem CID 11540510) has the molecular formula C30H34N6O and a molecular weight of 494.64 g/mol. Its IUPAC name is 1-[[1-(2,6-dimethylphenyl)tetrazol-5-yl]-(4-methoxyphenyl)methyl]-4-[(E)-3-phenylprop-2-enyl]piperazine.

Molecular Properties

Compound Name1-[[1-(2,6-dimethylphenyl)tetrazol-5-yl]-(4-methoxyphenyl)methyl]-4-[(E)-3-phenylprop-2-enyl]piperazine
PubChem CID11540510
Molecular FormulaC30H34N6O
Molecular Weight494.64 g/mol
Exact Mass494.28
IUPAC Name1-[[1-(2,6-dimethylphenyl)tetrazol-5-yl]-(4-methoxyphenyl)methyl]-4-[(E)-3-phenylprop-2-enyl]piperazine
SMILESCOc1ccc(C(c2nnnn2-c2c(C)cccc2C)N2CCN(C/C=C/c3ccccc3)CC2)cc1
InChIInChI=1S/C30H34N6O/c1-23-9-7-10-24(2)28(23)36-30(31-32-33-36)29(26-14-16-27(37-3)17-15-26)35-21-19-34(20-22-35)18-8-13-25-11-5-4-6-12-25/h4-17,29H,18-22H2,1-3H3/b13-8+
InChIKeyFQYCQBMKUMFSBZ-MDWZMJQESA-N
XLogP4.71
TPSA59.31 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms37
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500494.64
LogP ≤ 54.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 1-[[1-(2,6-dimethylphenyl)tetrazol-5-yl]-(4-methoxyphenyl)methyl]-4-[(E)-3-phenylprop-2-enyl]piperazine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[[1-(2,6-dimethylphenyl)tetrazol-5-yl]-(4-methoxyphenyl)methyl]-4-[(E)-3-phenylprop-2-enyl]piperazine?
The IUPAC name of 1-[[1-(2,6-dimethylphenyl)tetrazol-5-yl]-(4-methoxyphenyl)methyl]-4-[(E)-3-phenylprop-2-enyl]piperazine (CID 11540510) is 1-[[1-(2,6-dimethylphenyl)tetrazol-5-yl]-(4-methoxyphenyl)methyl]-4-[(E)-3-phenylprop-2-enyl]piperazine.
What is the SMILES notation for 1-[[1-(2,6-dimethylphenyl)tetrazol-5-yl]-(4-methoxyphenyl)methyl]-4-[(E)-3-phenylprop-2-enyl]piperazine?
The canonical SMILES for 1-[[1-(2,6-dimethylphenyl)tetrazol-5-yl]-(4-methoxyphenyl)methyl]-4-[(E)-3-phenylprop-2-enyl]piperazine is COc1ccc(C(c2nnnn2-c2c(C)cccc2C)N2CCN(C/C=C/c3ccccc3)CC2)cc1.
What is the InChIKey of 1-[[1-(2,6-dimethylphenyl)tetrazol-5-yl]-(4-methoxyphenyl)methyl]-4-[(E)-3-phenylprop-2-enyl]piperazine?
The InChIKey is FQYCQBMKUMFSBZ-MDWZMJQESA-N. The full InChI is InChI=1S/C30H34N6O/c1-23-9-7-10-24(2)28(23)36-30(31-32-33-36)29(26-14-16-27(37-3)17-15-26)35-21-19-34(20-22-35)18-8-13-25-11-5-4-6-12-25/h4-17,29H,18-22H2,1-3H3/b13-8+.
What are the key properties of 1-[[1-(2,6-dimethylphenyl)tetrazol-5-yl]-(4-methoxyphenyl)methyl]-4-[(E)-3-phenylprop-2-enyl]piperazine?
1-[[1-(2,6-dimethylphenyl)tetrazol-5-yl]-(4-methoxyphenyl)methyl]-4-[(E)-3-phenylprop-2-enyl]piperazine has a molecular weight of 494.64 g/mol, XLogP of 4.71, 8 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[1-(2,6-dimethylphenyl)tetrazol-5-yl]-(4-methoxyphenyl)methyl]-4-[(E)-3-phenylprop-2-enyl]piperazine is sourced from PubChem (CID 11540510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).