4-[[4-(2-methoxyphenyl)piperazin-1-yl]-[1-(2-phenylethyl)tetrazol-5-yl]methyl]-N,N-dimethylaniline

C29H35N7O — CID 3210523

IUPAC4-[[4-(2-methoxyphenyl)piperazin-1-yl]-[1-(2-phenylethyl)tetrazol-5-yl]methyl]-N,N-dimethylaniline
SMILESCOc1ccccc1N1CCN(C(c2ccc(N(C)C)cc2)c2nnnn2CCc2ccccc2)CC1
InChIInChI=1S/C29H35N7O/c1-33(2)25-15-13-24(14-16-25)28(29-30-31-32-36(29)18-17-23-9-5-4-6-10-23)35-21-19-34(20-22-35)26-11-7-8-12-27(26)37-3/h4-16,28H,17-22H2,1-3H3
InChIKeyONQWVUWIFFRGDM-UHFFFAOYSA-N
MW497.65 g/mol
LogP3.90
Rot. Bonds9

About 4-[[4-(2-methoxyphenyl)piperazin-1-yl]-[1-(2-phenylethyl)tetrazol-5-yl]methyl]-N,N-dimethylaniline

4-[[4-(2-methoxyphenyl)piperazin-1-yl]-[1-(2-phenylethyl)tetrazol-5-yl]methyl]-N,N-dimethylaniline (PubChem CID 3210523) has the molecular formula C29H35N7O and a molecular weight of 497.65 g/mol. Its IUPAC name is 4-[[4-(2-methoxyphenyl)piperazin-1-yl]-[1-(2-phenylethyl)tetrazol-5-yl]methyl]-N,N-dimethylaniline.

Molecular Properties

Compound Name4-[[4-(2-methoxyphenyl)piperazin-1-yl]-[1-(2-phenylethyl)tetrazol-5-yl]methyl]-N,N-dimethylaniline
PubChem CID3210523
Molecular FormulaC29H35N7O
Molecular Weight497.65 g/mol
Exact Mass497.29
IUPAC Name4-[[4-(2-methoxyphenyl)piperazin-1-yl]-[1-(2-phenylethyl)tetrazol-5-yl]methyl]-N,N-dimethylaniline
SMILESCOc1ccccc1N1CCN(C(c2ccc(N(C)C)cc2)c2nnnn2CCc2ccccc2)CC1
InChIInChI=1S/C29H35N7O/c1-33(2)25-15-13-24(14-16-25)28(29-30-31-32-36(29)18-17-23-9-5-4-6-10-23)35-21-19-34(20-22-35)26-11-7-8-12-27(26)37-3/h4-16,28H,17-22H2,1-3H3
InChIKeyONQWVUWIFFRGDM-UHFFFAOYSA-N
XLogP3.90
TPSA62.55 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms37
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500497.65
LogP ≤ 53.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}

Analyze 4-[[4-(2-methoxyphenyl)piperazin-1-yl]-[1-(2-phenylethyl)tetrazol-5-yl]methyl]-N,N-dimethylaniline 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 4-[[4-(2-methoxyphenyl)piperazin-1-yl]-[1-(2-phenylethyl)tetrazol-5-yl]methyl]-N,N-dimethylaniline?
The IUPAC name of 4-[[4-(2-methoxyphenyl)piperazin-1-yl]-[1-(2-phenylethyl)tetrazol-5-yl]methyl]-N,N-dimethylaniline (CID 3210523) is 4-[[4-(2-methoxyphenyl)piperazin-1-yl]-[1-(2-phenylethyl)tetrazol-5-yl]methyl]-N,N-dimethylaniline.
What is the SMILES notation for 4-[[4-(2-methoxyphenyl)piperazin-1-yl]-[1-(2-phenylethyl)tetrazol-5-yl]methyl]-N,N-dimethylaniline?
The canonical SMILES for 4-[[4-(2-methoxyphenyl)piperazin-1-yl]-[1-(2-phenylethyl)tetrazol-5-yl]methyl]-N,N-dimethylaniline is COc1ccccc1N1CCN(C(c2ccc(N(C)C)cc2)c2nnnn2CCc2ccccc2)CC1.
What is the InChIKey of 4-[[4-(2-methoxyphenyl)piperazin-1-yl]-[1-(2-phenylethyl)tetrazol-5-yl]methyl]-N,N-dimethylaniline?
The InChIKey is ONQWVUWIFFRGDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H35N7O/c1-33(2)25-15-13-24(14-16-25)28(29-30-31-32-36(29)18-17-23-9-5-4-6-10-23)35-21-19-34(20-22-35)26-11-7-8-12-27(26)37-3/h4-16,28H,17-22H2,1-3H3.
What are the key properties of 4-[[4-(2-methoxyphenyl)piperazin-1-yl]-[1-(2-phenylethyl)tetrazol-5-yl]methyl]-N,N-dimethylaniline?
4-[[4-(2-methoxyphenyl)piperazin-1-yl]-[1-(2-phenylethyl)tetrazol-5-yl]methyl]-N,N-dimethylaniline has a molecular weight of 497.65 g/mol, XLogP of 3.90, 9 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-(2-methoxyphenyl)piperazin-1-yl]-[1-(2-phenylethyl)tetrazol-5-yl]methyl]-N,N-dimethylaniline is sourced from PubChem (CID 3210523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).