1-(2-ethoxyphenyl)-4-(1-phenyltetrazol-5-yl)piperazine

C19H22N6O — CID 2485410

IUPAC1-(2-ethoxyphenyl)-4-(1-phenyltetrazol-5-yl)piperazine
SMILESCCOc1ccccc1N1CCN(c2nnnn2-c2ccccc2)CC1
InChIInChI=1S/C19H22N6O/c1-2-26-18-11-7-6-10-17(18)23-12-14-24(15-13-23)19-20-21-22-25(19)16-8-4-3-5-9-16/h3-11H,2,12-15H2,1H3
InChIKeyMIPAMQBHVXLTJU-UHFFFAOYSA-N
MW350.43 g/mol
LogP2.39
Rot. Bonds5

About 1-(2-ethoxyphenyl)-4-(1-phenyltetrazol-5-yl)piperazine

1-(2-ethoxyphenyl)-4-(1-phenyltetrazol-5-yl)piperazine (PubChem CID 2485410) has the molecular formula C19H22N6O and a molecular weight of 350.43 g/mol. Its IUPAC name is 1-(2-ethoxyphenyl)-4-(1-phenyltetrazol-5-yl)piperazine.

Molecular Properties

Compound Name1-(2-ethoxyphenyl)-4-(1-phenyltetrazol-5-yl)piperazine
PubChem CID2485410
Molecular FormulaC19H22N6O
Molecular Weight350.43 g/mol
Exact Mass350.19
IUPAC Name1-(2-ethoxyphenyl)-4-(1-phenyltetrazol-5-yl)piperazine
SMILESCCOc1ccccc1N1CCN(c2nnnn2-c2ccccc2)CC1
InChIInChI=1S/C19H22N6O/c1-2-26-18-11-7-6-10-17(18)23-12-14-24(15-13-23)19-20-21-22-25(19)16-8-4-3-5-9-16/h3-11H,2,12-15H2,1H3
InChIKeyMIPAMQBHVXLTJU-UHFFFAOYSA-N
XLogP2.39
TPSA59.31 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.43
LogP ≤ 52.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 1-(2-ethoxyphenyl)-4-(1-phenyltetrazol-5-yl)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-(2-ethoxyphenyl)-4-(1-phenyltetrazol-5-yl)piperazine?
The IUPAC name of 1-(2-ethoxyphenyl)-4-(1-phenyltetrazol-5-yl)piperazine (CID 2485410) is 1-(2-ethoxyphenyl)-4-(1-phenyltetrazol-5-yl)piperazine.
What is the SMILES notation for 1-(2-ethoxyphenyl)-4-(1-phenyltetrazol-5-yl)piperazine?
The canonical SMILES for 1-(2-ethoxyphenyl)-4-(1-phenyltetrazol-5-yl)piperazine is CCOc1ccccc1N1CCN(c2nnnn2-c2ccccc2)CC1.
What is the InChIKey of 1-(2-ethoxyphenyl)-4-(1-phenyltetrazol-5-yl)piperazine?
The InChIKey is MIPAMQBHVXLTJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N6O/c1-2-26-18-11-7-6-10-17(18)23-12-14-24(15-13-23)19-20-21-22-25(19)16-8-4-3-5-9-16/h3-11H,2,12-15H2,1H3.
What are the key properties of 1-(2-ethoxyphenyl)-4-(1-phenyltetrazol-5-yl)piperazine?
1-(2-ethoxyphenyl)-4-(1-phenyltetrazol-5-yl)piperazine has a molecular weight of 350.43 g/mol, XLogP of 2.39, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethoxyphenyl)-4-(1-phenyltetrazol-5-yl)piperazine is sourced from PubChem (CID 2485410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).