1-[(1-butyltetrazol-5-yl)-phenylmethyl]-4-(2-methoxyphenyl)piperazine

C23H30N6O — CID 53300960

IUPAC1-[(1-butyltetrazol-5-yl)-phenylmethyl]-4-(2-methoxyphenyl)piperazine
SMILESCCCCn1nnnc1C(c1ccccc1)N1CCN(c2ccccc2OC)CC1
InChIInChI=1S/C23H30N6O/c1-3-4-14-29-23(24-25-26-29)22(19-10-6-5-7-11-19)28-17-15-27(16-18-28)20-12-8-9-13-21(20)30-2/h5-13,22H,3-4,14-18H2,1-2H3
InChIKeyPSFLCYMIIMPACF-UHFFFAOYSA-N
MW406.53 g/mol
LogP3.39
Rot. Bonds8

About 1-[(1-butyltetrazol-5-yl)-phenylmethyl]-4-(2-methoxyphenyl)piperazine

1-[(1-butyltetrazol-5-yl)-phenylmethyl]-4-(2-methoxyphenyl)piperazine (PubChem CID 53300960) has the molecular formula C23H30N6O and a molecular weight of 406.53 g/mol. Its IUPAC name is 1-[(1-butyltetrazol-5-yl)-phenylmethyl]-4-(2-methoxyphenyl)piperazine.

Molecular Properties

Compound Name1-[(1-butyltetrazol-5-yl)-phenylmethyl]-4-(2-methoxyphenyl)piperazine
PubChem CID53300960
Molecular FormulaC23H30N6O
Molecular Weight406.53 g/mol
Exact Mass406.25
IUPAC Name1-[(1-butyltetrazol-5-yl)-phenylmethyl]-4-(2-methoxyphenyl)piperazine
SMILESCCCCn1nnnc1C(c1ccccc1)N1CCN(c2ccccc2OC)CC1
InChIInChI=1S/C23H30N6O/c1-3-4-14-29-23(24-25-26-29)22(19-10-6-5-7-11-19)28-17-15-27(16-18-28)20-12-8-9-13-21(20)30-2/h5-13,22H,3-4,14-18H2,1-2H3
InChIKeyPSFLCYMIIMPACF-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-butyltetrazol-5-yl)-phenylmethyl]-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-butyltetrazol-5-yl)-phenylmethyl]-4-(2-methoxyphenyl)piperazine?
The IUPAC name of 1-[(1-butyltetrazol-5-yl)-phenylmethyl]-4-(2-methoxyphenyl)piperazine (CID 53300960) is 1-[(1-butyltetrazol-5-yl)-phenylmethyl]-4-(2-methoxyphenyl)piperazine.
What is the SMILES notation for 1-[(1-butyltetrazol-5-yl)-phenylmethyl]-4-(2-methoxyphenyl)piperazine?
The canonical SMILES for 1-[(1-butyltetrazol-5-yl)-phenylmethyl]-4-(2-methoxyphenyl)piperazine is CCCCn1nnnc1C(c1ccccc1)N1CCN(c2ccccc2OC)CC1.
What is the InChIKey of 1-[(1-butyltetrazol-5-yl)-phenylmethyl]-4-(2-methoxyphenyl)piperazine?
The InChIKey is PSFLCYMIIMPACF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N6O/c1-3-4-14-29-23(24-25-26-29)22(19-10-6-5-7-11-19)28-17-15-27(16-18-28)20-12-8-9-13-21(20)30-2/h5-13,22H,3-4,14-18H2,1-2H3.
What are the key properties of 1-[(1-butyltetrazol-5-yl)-phenylmethyl]-4-(2-methoxyphenyl)piperazine?
1-[(1-butyltetrazol-5-yl)-phenylmethyl]-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-butyltetrazol-5-yl)-phenylmethyl]-4-(2-methoxyphenyl)piperazine is sourced from PubChem (CID 53300960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).