1-[(1-butyltetrazol-5-yl)-phenylmethyl]-4-(2,3-dimethylphenyl)piperazine

C24H32N6 — CID 53300956

IUPAC1-[(1-butyltetrazol-5-yl)-phenylmethyl]-4-(2,3-dimethylphenyl)piperazine
SMILESCCCCn1nnnc1C(c1ccccc1)N1CCN(c2cccc(C)c2C)CC1
InChIInChI=1S/C24H32N6/c1-4-5-14-30-24(25-26-27-30)23(21-11-7-6-8-12-21)29-17-15-28(16-18-29)22-13-9-10-19(2)20(22)3/h6-13,23H,4-5,14-18H2,1-3H3
InChIKeyHEAODOGXMMJDBG-UHFFFAOYSA-N
MW404.56 g/mol
LogP4.00
Rot. Bonds7

About 1-[(1-butyltetrazol-5-yl)-phenylmethyl]-4-(2,3-dimethylphenyl)piperazine

1-[(1-butyltetrazol-5-yl)-phenylmethyl]-4-(2,3-dimethylphenyl)piperazine (PubChem CID 53300956) has the molecular formula C24H32N6 and a molecular weight of 404.56 g/mol. Its IUPAC name is 1-[(1-butyltetrazol-5-yl)-phenylmethyl]-4-(2,3-dimethylphenyl)piperazine.

Molecular Properties

Compound Name1-[(1-butyltetrazol-5-yl)-phenylmethyl]-4-(2,3-dimethylphenyl)piperazine
PubChem CID53300956
Molecular FormulaC24H32N6
Molecular Weight404.56 g/mol
Exact Mass404.27
IUPAC Name1-[(1-butyltetrazol-5-yl)-phenylmethyl]-4-(2,3-dimethylphenyl)piperazine
SMILESCCCCn1nnnc1C(c1ccccc1)N1CCN(c2cccc(C)c2C)CC1
InChIInChI=1S/C24H32N6/c1-4-5-14-30-24(25-26-27-30)23(21-11-7-6-8-12-21)29-17-15-28(16-18-29)22-13-9-10-19(2)20(22)3/h6-13,23H,4-5,14-18H2,1-3H3
InChIKeyHEAODOGXMMJDBG-UHFFFAOYSA-N
XLogP4.00
TPSA50.08 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.56
LogP ≤ 54.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 1-[(1-butyltetrazol-5-yl)-phenylmethyl]-4-(2,3-dimethylphenyl)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-butyltetrazol-5-yl)-phenylmethyl]-4-(2,3-dimethylphenyl)piperazine?
The IUPAC name of 1-[(1-butyltetrazol-5-yl)-phenylmethyl]-4-(2,3-dimethylphenyl)piperazine (CID 53300956) is 1-[(1-butyltetrazol-5-yl)-phenylmethyl]-4-(2,3-dimethylphenyl)piperazine.
What is the SMILES notation for 1-[(1-butyltetrazol-5-yl)-phenylmethyl]-4-(2,3-dimethylphenyl)piperazine?
The canonical SMILES for 1-[(1-butyltetrazol-5-yl)-phenylmethyl]-4-(2,3-dimethylphenyl)piperazine is CCCCn1nnnc1C(c1ccccc1)N1CCN(c2cccc(C)c2C)CC1.
What is the InChIKey of 1-[(1-butyltetrazol-5-yl)-phenylmethyl]-4-(2,3-dimethylphenyl)piperazine?
The InChIKey is HEAODOGXMMJDBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32N6/c1-4-5-14-30-24(25-26-27-30)23(21-11-7-6-8-12-21)29-17-15-28(16-18-29)22-13-9-10-19(2)20(22)3/h6-13,23H,4-5,14-18H2,1-3H3.
What are the key properties of 1-[(1-butyltetrazol-5-yl)-phenylmethyl]-4-(2,3-dimethylphenyl)piperazine?
1-[(1-butyltetrazol-5-yl)-phenylmethyl]-4-(2,3-dimethylphenyl)piperazine has a molecular weight of 404.56 g/mol, XLogP of 4.00, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1-butyltetrazol-5-yl)-phenylmethyl]-4-(2,3-dimethylphenyl)piperazine is sourced from PubChem (CID 53300956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).