1-[(1-cyclohexyltetrazol-5-yl)-(4-methoxyphenyl)methyl]-4-(4-methoxyphenyl)piperazine

C26H34N6O2 — CID 655407

IUPAC1-[(1-cyclohexyltetrazol-5-yl)-(4-methoxyphenyl)methyl]-4-(4-methoxyphenyl)piperazine
SMILESCOc1ccc(C(c2nnnn2C2CCCCC2)N2CCN(c3ccc(OC)cc3)CC2)cc1
InChIInChI=1S/C26H34N6O2/c1-33-23-12-8-20(9-13-23)25(26-27-28-29-32(26)22-6-4-3-5-7-22)31-18-16-30(17-19-31)21-10-14-24(34-2)15-11-21/h8-15,22,25H,3-7,16-19H2,1-2H3
InChIKeyJQKXCAKYDCGFPQ-UHFFFAOYSA-N
MW462.60 g/mol
LogP4.11
Rot. Bonds7

About 1-[(1-cyclohexyltetrazol-5-yl)-(4-methoxyphenyl)methyl]-4-(4-methoxyphenyl)piperazine

1-[(1-cyclohexyltetrazol-5-yl)-(4-methoxyphenyl)methyl]-4-(4-methoxyphenyl)piperazine (PubChem CID 655407) has the molecular formula C26H34N6O2 and a molecular weight of 462.60 g/mol. Its IUPAC name is 1-[(1-cyclohexyltetrazol-5-yl)-(4-methoxyphenyl)methyl]-4-(4-methoxyphenyl)piperazine.

Molecular Properties

Compound Name1-[(1-cyclohexyltetrazol-5-yl)-(4-methoxyphenyl)methyl]-4-(4-methoxyphenyl)piperazine
PubChem CID655407
Molecular FormulaC26H34N6O2
Molecular Weight462.60 g/mol
Exact Mass462.27
IUPAC Name1-[(1-cyclohexyltetrazol-5-yl)-(4-methoxyphenyl)methyl]-4-(4-methoxyphenyl)piperazine
SMILESCOc1ccc(C(c2nnnn2C2CCCCC2)N2CCN(c3ccc(OC)cc3)CC2)cc1
InChIInChI=1S/C26H34N6O2/c1-33-23-12-8-20(9-13-23)25(26-27-28-29-32(26)22-6-4-3-5-7-22)31-18-16-30(17-19-31)21-10-14-24(34-2)15-11-21/h8-15,22,25H,3-7,16-19H2,1-2H3
InChIKeyJQKXCAKYDCGFPQ-UHFFFAOYSA-N
XLogP4.11
TPSA68.54 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.60
LogP ≤ 54.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

Analyze 1-[(1-cyclohexyltetrazol-5-yl)-(4-methoxyphenyl)methyl]-4-(4-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-cyclohexyltetrazol-5-yl)-(4-methoxyphenyl)methyl]-4-(4-methoxyphenyl)piperazine?
The IUPAC name of 1-[(1-cyclohexyltetrazol-5-yl)-(4-methoxyphenyl)methyl]-4-(4-methoxyphenyl)piperazine (CID 655407) is 1-[(1-cyclohexyltetrazol-5-yl)-(4-methoxyphenyl)methyl]-4-(4-methoxyphenyl)piperazine.
What is the SMILES notation for 1-[(1-cyclohexyltetrazol-5-yl)-(4-methoxyphenyl)methyl]-4-(4-methoxyphenyl)piperazine?
The canonical SMILES for 1-[(1-cyclohexyltetrazol-5-yl)-(4-methoxyphenyl)methyl]-4-(4-methoxyphenyl)piperazine is COc1ccc(C(c2nnnn2C2CCCCC2)N2CCN(c3ccc(OC)cc3)CC2)cc1.
What is the InChIKey of 1-[(1-cyclohexyltetrazol-5-yl)-(4-methoxyphenyl)methyl]-4-(4-methoxyphenyl)piperazine?
The InChIKey is JQKXCAKYDCGFPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H34N6O2/c1-33-23-12-8-20(9-13-23)25(26-27-28-29-32(26)22-6-4-3-5-7-22)31-18-16-30(17-19-31)21-10-14-24(34-2)15-11-21/h8-15,22,25H,3-7,16-19H2,1-2H3.
What are the key properties of 1-[(1-cyclohexyltetrazol-5-yl)-(4-methoxyphenyl)methyl]-4-(4-methoxyphenyl)piperazine?
1-[(1-cyclohexyltetrazol-5-yl)-(4-methoxyphenyl)methyl]-4-(4-methoxyphenyl)piperazine has a molecular weight of 462.60 g/mol, XLogP of 4.11, 7 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1-cyclohexyltetrazol-5-yl)-(4-methoxyphenyl)methyl]-4-(4-methoxyphenyl)piperazine is sourced from PubChem (CID 655407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).