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

C23H29N5O — CID 118719792

IUPAC1-(2-methoxyphenyl)-4-[4-(1-phenyltriazol-4-yl)butyl]piperazine
SMILESCOc1ccccc1N1CCN(CCCCc2cn(-c3ccccc3)nn2)CC1
InChIInChI=1S/C23H29N5O/c1-29-23-13-6-5-12-22(23)27-17-15-26(16-18-27)14-8-7-9-20-19-28(25-24-20)21-10-3-2-4-11-21/h2-6,10-13,19H,7-9,14-18H2,1H3
InChIKeyADUUVPPWHWVJFK-UHFFFAOYSA-N
MW391.52 g/mol
LogP3.42
Rot. Bonds8

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

1-(2-methoxyphenyl)-4-[4-(1-phenyltriazol-4-yl)butyl]piperazine (PubChem CID 118719792) has the molecular formula C23H29N5O and a molecular weight of 391.52 g/mol. Its IUPAC name is 1-(2-methoxyphenyl)-4-[4-(1-phenyltriazol-4-yl)butyl]piperazine.

Molecular Properties

Compound Name1-(2-methoxyphenyl)-4-[4-(1-phenyltriazol-4-yl)butyl]piperazine
PubChem CID118719792
Molecular FormulaC23H29N5O
Molecular Weight391.52 g/mol
Exact Mass391.24
IUPAC Name1-(2-methoxyphenyl)-4-[4-(1-phenyltriazol-4-yl)butyl]piperazine
SMILESCOc1ccccc1N1CCN(CCCCc2cn(-c3ccccc3)nn2)CC1
InChIInChI=1S/C23H29N5O/c1-29-23-13-6-5-12-22(23)27-17-15-26(16-18-27)14-8-7-9-20-19-28(25-24-20)21-10-3-2-4-11-21/h2-6,10-13,19H,7-9,14-18H2,1H3
InChIKeyADUUVPPWHWVJFK-UHFFFAOYSA-N
XLogP3.42
TPSA46.42 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.52
LogP ≤ 53.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 1-(2-methoxyphenyl)-4-[4-(1-phenyltriazol-4-yl)butyl]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-(2-methoxyphenyl)-4-[4-(1-phenyltriazol-4-yl)butyl]piperazine?
The IUPAC name of 1-(2-methoxyphenyl)-4-[4-(1-phenyltriazol-4-yl)butyl]piperazine (CID 118719792) is 1-(2-methoxyphenyl)-4-[4-(1-phenyltriazol-4-yl)butyl]piperazine.
What is the SMILES notation for 1-(2-methoxyphenyl)-4-[4-(1-phenyltriazol-4-yl)butyl]piperazine?
The canonical SMILES for 1-(2-methoxyphenyl)-4-[4-(1-phenyltriazol-4-yl)butyl]piperazine is COc1ccccc1N1CCN(CCCCc2cn(-c3ccccc3)nn2)CC1.
What is the InChIKey of 1-(2-methoxyphenyl)-4-[4-(1-phenyltriazol-4-yl)butyl]piperazine?
The InChIKey is ADUUVPPWHWVJFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N5O/c1-29-23-13-6-5-12-22(23)27-17-15-26(16-18-27)14-8-7-9-20-19-28(25-24-20)21-10-3-2-4-11-21/h2-6,10-13,19H,7-9,14-18H2,1H3.
What are the key properties of 1-(2-methoxyphenyl)-4-[4-(1-phenyltriazol-4-yl)butyl]piperazine?
1-(2-methoxyphenyl)-4-[4-(1-phenyltriazol-4-yl)butyl]piperazine has a molecular weight of 391.52 g/mol, XLogP of 3.42, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyphenyl)-4-[4-(1-phenyltriazol-4-yl)butyl]piperazine is sourced from PubChem (CID 118719792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).