1-[1-(1-benzyltetrazol-5-yl)butyl]-4-(2-methoxyphenyl)piperazine

C23H30N6O — CID 653501

IUPAC1-[1-(1-benzyltetrazol-5-yl)butyl]-4-(2-methoxyphenyl)piperazine
SMILESCCCC(c1nnnn1Cc1ccccc1)N1CCN(c2ccccc2OC)CC1
InChIInChI=1S/C23H30N6O/c1-3-9-21(23-24-25-26-29(23)18-19-10-5-4-6-11-19)28-16-14-27(15-17-28)20-12-7-8-13-22(20)30-2/h4-8,10-13,21H,3,9,14-18H2,1-2H3
InChIKeyLKKYGCUDZGWAKO-UHFFFAOYSA-N
MW406.53 g/mol
LogP3.39
Rot. Bonds8

About 1-[1-(1-benzyltetrazol-5-yl)butyl]-4-(2-methoxyphenyl)piperazine

1-[1-(1-benzyltetrazol-5-yl)butyl]-4-(2-methoxyphenyl)piperazine (PubChem CID 653501) has the molecular formula C23H30N6O and a molecular weight of 406.53 g/mol. Its IUPAC name is 1-[1-(1-benzyltetrazol-5-yl)butyl]-4-(2-methoxyphenyl)piperazine.

Molecular Properties

Compound Name1-[1-(1-benzyltetrazol-5-yl)butyl]-4-(2-methoxyphenyl)piperazine
PubChem CID653501
Molecular FormulaC23H30N6O
Molecular Weight406.53 g/mol
Exact Mass406.25
IUPAC Name1-[1-(1-benzyltetrazol-5-yl)butyl]-4-(2-methoxyphenyl)piperazine
SMILESCCCC(c1nnnn1Cc1ccccc1)N1CCN(c2ccccc2OC)CC1
InChIInChI=1S/C23H30N6O/c1-3-9-21(23-24-25-26-29(23)18-19-10-5-4-6-11-19)28-16-14-27(15-17-28)20-12-7-8-13-22(20)30-2/h4-8,10-13,21H,3,9,14-18H2,1-2H3
InChIKeyLKKYGCUDZGWAKO-UHFFFAOYSA-N
XLogP3.39
TPSA59.31 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.53
LogP ≤ 53.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 1-[1-(1-benzyltetrazol-5-yl)butyl]-4-(2-methoxyphenyl)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)butyl]-4-(2-methoxyphenyl)piperazine?
The IUPAC name of 1-[1-(1-benzyltetrazol-5-yl)butyl]-4-(2-methoxyphenyl)piperazine (CID 653501) is 1-[1-(1-benzyltetrazol-5-yl)butyl]-4-(2-methoxyphenyl)piperazine.
What is the SMILES notation for 1-[1-(1-benzyltetrazol-5-yl)butyl]-4-(2-methoxyphenyl)piperazine?
The canonical SMILES for 1-[1-(1-benzyltetrazol-5-yl)butyl]-4-(2-methoxyphenyl)piperazine is CCCC(c1nnnn1Cc1ccccc1)N1CCN(c2ccccc2OC)CC1.
What is the InChIKey of 1-[1-(1-benzyltetrazol-5-yl)butyl]-4-(2-methoxyphenyl)piperazine?
The InChIKey is LKKYGCUDZGWAKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N6O/c1-3-9-21(23-24-25-26-29(23)18-19-10-5-4-6-11-19)28-16-14-27(15-17-28)20-12-7-8-13-22(20)30-2/h4-8,10-13,21H,3,9,14-18H2,1-2H3.
What are the key properties of 1-[1-(1-benzyltetrazol-5-yl)butyl]-4-(2-methoxyphenyl)piperazine?
1-[1-(1-benzyltetrazol-5-yl)butyl]-4-(2-methoxyphenyl)piperazine has a molecular weight of 406.53 g/mol, XLogP of 3.39, 8 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(1-benzyltetrazol-5-yl)butyl]-4-(2-methoxyphenyl)piperazine is sourced from PubChem (CID 653501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).