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

C23H27ClN4 — CID 24985407

IUPAC1-[4-[4-(4-chlorophenyl)-5-phenyltriazol-2-yl]butyl]piperidine
SMILESClc1ccc(-c2nn(CCCCN3CCCCC3)nc2-c2ccccc2)cc1
InChIInChI=1S/C23H27ClN4/c24-21-13-11-20(12-14-21)23-22(19-9-3-1-4-10-19)25-28(26-23)18-8-7-17-27-15-5-2-6-16-27/h1,3-4,9-14H,2,5-8,15-18H2
InChIKeyOWXBJIZYYYWPOK-UHFFFAOYSA-N
MW394.95 g/mol
LogP5.53
Rot. Bonds7

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

1-[4-[4-(4-chlorophenyl)-5-phenyltriazol-2-yl]butyl]piperidine (PubChem CID 24985407) has the molecular formula C23H27ClN4 and a molecular weight of 394.95 g/mol. Its IUPAC name is 1-[4-[4-(4-chlorophenyl)-5-phenyltriazol-2-yl]butyl]piperidine.

Molecular Properties

Compound Name1-[4-[4-(4-chlorophenyl)-5-phenyltriazol-2-yl]butyl]piperidine
PubChem CID24985407
Molecular FormulaC23H27ClN4
Molecular Weight394.95 g/mol
Exact Mass394.19
IUPAC Name1-[4-[4-(4-chlorophenyl)-5-phenyltriazol-2-yl]butyl]piperidine
SMILESClc1ccc(-c2nn(CCCCN3CCCCC3)nc2-c2ccccc2)cc1
InChIInChI=1S/C23H27ClN4/c24-21-13-11-20(12-14-21)23-22(19-9-3-1-4-10-19)25-28(26-23)18-8-7-17-27-15-5-2-6-16-27/h1,3-4,9-14H,2,5-8,15-18H2
InChIKeyOWXBJIZYYYWPOK-UHFFFAOYSA-N
XLogP5.53
TPSA33.95 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500394.95
LogP ≤ 55.53
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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Related Compounds

2-(4,5-bis(2,4-dichlorophenyl)-2H-1,2,3-triazol-2-yl)-1-(piperidin-1-yl)ethanone
CID 44571487
2-Benzyl-4-(4-chlorophenyl)-5-(2,4-dichlorophenyl)triazole
CID 76308186
2-[4-(4-Chlorophenyl)-5-(2,4-dichlorophenyl)triazol-2-yl]acetonitrile
CID 76311822
4-(4-Chlorophenyl)-5-(2,4-dichlorophenyl)-2-(2-fluoroethyl)triazole
CID 76315382
2-(2-Chloroethyl)-4-(4-chlorophenyl)-5-(2,4-dichlorophenyl)triazole
CID 76319048
1-Benzyl-5-(4-chlorophenyl)-4-phenyltriazole
CID 24864409
4-(4-chlorophenyl)-5-phenyl-2H-triazole
CID 14248855
3-[4-(4-Chlorophenyl)-5-(2,4-dichlorophenyl)triazol-2-yl]propanenitrile
CID 76329892
1-[[2-(4-Chlorophenyl)-5-(2-fluorophenyl)triazol-4-yl]methyl]-4-methylpiperidine
CID 129228063
4,6-bis(4-chlorophenyl)-N,N-diethyltriazin-5-amine
CID 86211852
(1-Benzyl-5-(4-chlorophenyl)-1h-1,2,3-triazol-4-yl)(4-chlorophenyl)methanone oxime
CID 129732053
1-Benzyl-4-iodo-5-(4-chlorophenyl)-1,2,3-triazole
CID 129886533

Frequently Asked Questions

What is the IUPAC name of 1-[4-[4-(4-chlorophenyl)-5-phenyltriazol-2-yl]butyl]piperidine?
The IUPAC name of 1-[4-[4-(4-chlorophenyl)-5-phenyltriazol-2-yl]butyl]piperidine (CID 24985407) is 1-[4-[4-(4-chlorophenyl)-5-phenyltriazol-2-yl]butyl]piperidine.
What is the SMILES notation for 1-[4-[4-(4-chlorophenyl)-5-phenyltriazol-2-yl]butyl]piperidine?
The canonical SMILES for 1-[4-[4-(4-chlorophenyl)-5-phenyltriazol-2-yl]butyl]piperidine is Clc1ccc(-c2nn(CCCCN3CCCCC3)nc2-c2ccccc2)cc1.
What is the InChIKey of 1-[4-[4-(4-chlorophenyl)-5-phenyltriazol-2-yl]butyl]piperidine?
The InChIKey is OWXBJIZYYYWPOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27ClN4/c24-21-13-11-20(12-14-21)23-22(19-9-3-1-4-10-19)25-28(26-23)18-8-7-17-27-15-5-2-6-16-27/h1,3-4,9-14H,2,5-8,15-18H2.
What are the key properties of 1-[4-[4-(4-chlorophenyl)-5-phenyltriazol-2-yl]butyl]piperidine?
1-[4-[4-(4-chlorophenyl)-5-phenyltriazol-2-yl]butyl]piperidine has a molecular weight of 394.95 g/mol, XLogP of 5.53, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[4-(4-chlorophenyl)-5-phenyltriazol-2-yl]butyl]piperidine is sourced from PubChem (CID 24985407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).