1-[1-(1-benzyltetrazol-5-yl)propyl]-4-(2,3-dimethylphenyl)piperazine

C23H30N6 — CID 3209616

IUPAC1-[1-(1-benzyltetrazol-5-yl)propyl]-4-(2,3-dimethylphenyl)piperazine
SMILESCCC(c1nnnn1Cc1ccccc1)N1CCN(c2cccc(C)c2C)CC1
InChIInChI=1S/C23H30N6/c1-4-21(23-24-25-26-29(23)17-20-10-6-5-7-11-20)27-13-15-28(16-14-27)22-12-8-9-18(2)19(22)3/h5-12,21H,4,13-17H2,1-3H3
InChIKeyZQVVSGQIDKSQTP-UHFFFAOYSA-N
MW390.54 g/mol
LogP3.61
Rot. Bonds6

About 1-[1-(1-benzyltetrazol-5-yl)propyl]-4-(2,3-dimethylphenyl)piperazine

1-[1-(1-benzyltetrazol-5-yl)propyl]-4-(2,3-dimethylphenyl)piperazine (PubChem CID 3209616) has the molecular formula C23H30N6 and a molecular weight of 390.54 g/mol. Its IUPAC name is 1-[1-(1-benzyltetrazol-5-yl)propyl]-4-(2,3-dimethylphenyl)piperazine.

Molecular Properties

Compound Name1-[1-(1-benzyltetrazol-5-yl)propyl]-4-(2,3-dimethylphenyl)piperazine
PubChem CID3209616
Molecular FormulaC23H30N6
Molecular Weight390.54 g/mol
Exact Mass390.25
IUPAC Name1-[1-(1-benzyltetrazol-5-yl)propyl]-4-(2,3-dimethylphenyl)piperazine
SMILESCCC(c1nnnn1Cc1ccccc1)N1CCN(c2cccc(C)c2C)CC1
InChIInChI=1S/C23H30N6/c1-4-21(23-24-25-26-29(23)17-20-10-6-5-7-11-20)27-13-15-28(16-14-27)22-12-8-9-18(2)19(22)3/h5-12,21H,4,13-17H2,1-3H3
InChIKeyZQVVSGQIDKSQTP-UHFFFAOYSA-N
XLogP3.61
TPSA50.08 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.54
LogP ≤ 53.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 1-[1-(1-benzyltetrazol-5-yl)propyl]-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-(1-benzyltetrazol-5-yl)propyl]-4-(2,3-dimethylphenyl)piperazine?
The IUPAC name of 1-[1-(1-benzyltetrazol-5-yl)propyl]-4-(2,3-dimethylphenyl)piperazine (CID 3209616) is 1-[1-(1-benzyltetrazol-5-yl)propyl]-4-(2,3-dimethylphenyl)piperazine.
What is the SMILES notation for 1-[1-(1-benzyltetrazol-5-yl)propyl]-4-(2,3-dimethylphenyl)piperazine?
The canonical SMILES for 1-[1-(1-benzyltetrazol-5-yl)propyl]-4-(2,3-dimethylphenyl)piperazine is CCC(c1nnnn1Cc1ccccc1)N1CCN(c2cccc(C)c2C)CC1.
What is the InChIKey of 1-[1-(1-benzyltetrazol-5-yl)propyl]-4-(2,3-dimethylphenyl)piperazine?
The InChIKey is ZQVVSGQIDKSQTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N6/c1-4-21(23-24-25-26-29(23)17-20-10-6-5-7-11-20)27-13-15-28(16-14-27)22-12-8-9-18(2)19(22)3/h5-12,21H,4,13-17H2,1-3H3.
What are the key properties of 1-[1-(1-benzyltetrazol-5-yl)propyl]-4-(2,3-dimethylphenyl)piperazine?
1-[1-(1-benzyltetrazol-5-yl)propyl]-4-(2,3-dimethylphenyl)piperazine has a molecular weight of 390.54 g/mol, XLogP of 3.61, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(1-benzyltetrazol-5-yl)propyl]-4-(2,3-dimethylphenyl)piperazine is sourced from PubChem (CID 3209616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).