1-[5-[4-(4-chlorophenyl)-5-phenyltriazol-2-yl]pentyl]piperidine

C24H29ClN4 — CID 24985241

IUPAC1-[5-[4-(4-chlorophenyl)-5-phenyltriazol-2-yl]pentyl]piperidine
SMILESClc1ccc(-c2nn(CCCCCN3CCCCC3)nc2-c2ccccc2)cc1
InChIInChI=1S/C24H29ClN4/c25-22-14-12-21(13-15-22)24-23(20-10-4-1-5-11-20)26-29(27-24)19-9-3-8-18-28-16-6-2-7-17-28/h1,4-5,10-15H,2-3,6-9,16-19H2
InChIKeySLLZNMBEIVMVOK-UHFFFAOYSA-N
MW408.98 g/mol
LogP5.92
Rot. Bonds8

About 1-[5-[4-(4-chlorophenyl)-5-phenyltriazol-2-yl]pentyl]piperidine

1-[5-[4-(4-chlorophenyl)-5-phenyltriazol-2-yl]pentyl]piperidine (PubChem CID 24985241) has the molecular formula C24H29ClN4 and a molecular weight of 408.98 g/mol. Its IUPAC name is 1-[5-[4-(4-chlorophenyl)-5-phenyltriazol-2-yl]pentyl]piperidine.

Molecular Properties

Compound Name1-[5-[4-(4-chlorophenyl)-5-phenyltriazol-2-yl]pentyl]piperidine
PubChem CID24985241
Molecular FormulaC24H29ClN4
Molecular Weight408.98 g/mol
Exact Mass408.21
IUPAC Name1-[5-[4-(4-chlorophenyl)-5-phenyltriazol-2-yl]pentyl]piperidine
SMILESClc1ccc(-c2nn(CCCCCN3CCCCC3)nc2-c2ccccc2)cc1
InChIInChI=1S/C24H29ClN4/c25-22-14-12-21(13-15-22)24-23(20-10-4-1-5-11-20)26-29(27-24)19-9-3-8-18-28-16-6-2-7-17-28/h1,4-5,10-15H,2-3,6-9,16-19H2
InChIKeySLLZNMBEIVMVOK-UHFFFAOYSA-N
XLogP5.92
TPSA33.95 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500408.98
LogP ≤ 55.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[5-[4-(4-chlorophenyl)-5-phenyltriazol-2-yl]pentyl]piperidine?
The IUPAC name of 1-[5-[4-(4-chlorophenyl)-5-phenyltriazol-2-yl]pentyl]piperidine (CID 24985241) is 1-[5-[4-(4-chlorophenyl)-5-phenyltriazol-2-yl]pentyl]piperidine.
What is the SMILES notation for 1-[5-[4-(4-chlorophenyl)-5-phenyltriazol-2-yl]pentyl]piperidine?
The canonical SMILES for 1-[5-[4-(4-chlorophenyl)-5-phenyltriazol-2-yl]pentyl]piperidine is Clc1ccc(-c2nn(CCCCCN3CCCCC3)nc2-c2ccccc2)cc1.
What is the InChIKey of 1-[5-[4-(4-chlorophenyl)-5-phenyltriazol-2-yl]pentyl]piperidine?
The InChIKey is SLLZNMBEIVMVOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29ClN4/c25-22-14-12-21(13-15-22)24-23(20-10-4-1-5-11-20)26-29(27-24)19-9-3-8-18-28-16-6-2-7-17-28/h1,4-5,10-15H,2-3,6-9,16-19H2.
What are the key properties of 1-[5-[4-(4-chlorophenyl)-5-phenyltriazol-2-yl]pentyl]piperidine?
1-[5-[4-(4-chlorophenyl)-5-phenyltriazol-2-yl]pentyl]piperidine has a molecular weight of 408.98 g/mol, XLogP of 5.92, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-[4-(4-chlorophenyl)-5-phenyltriazol-2-yl]pentyl]piperidine is sourced from PubChem (CID 24985241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).