1-[3-[4-(4-chlorophenyl)-5-phenyltriazol-2-yl]propyl]piperidine

C22H25ClN4 — CID 24985582

IUPAC1-[3-[4-(4-chlorophenyl)-5-phenyltriazol-2-yl]propyl]piperidine
SMILESClc1ccc(-c2nn(CCCN3CCCCC3)nc2-c2ccccc2)cc1
InChIInChI=1S/C22H25ClN4/c23-20-12-10-19(11-13-20)22-21(18-8-3-1-4-9-18)24-27(25-22)17-7-16-26-14-5-2-6-15-26/h1,3-4,8-13H,2,5-7,14-17H2
InChIKeyRXLFBOFHZJXGRZ-UHFFFAOYSA-N
MW380.92 g/mol
LogP5.14
Rot. Bonds6

About 1-[3-[4-(4-chlorophenyl)-5-phenyltriazol-2-yl]propyl]piperidine

1-[3-[4-(4-chlorophenyl)-5-phenyltriazol-2-yl]propyl]piperidine (PubChem CID 24985582) has the molecular formula C22H25ClN4 and a molecular weight of 380.92 g/mol. Its IUPAC name is 1-[3-[4-(4-chlorophenyl)-5-phenyltriazol-2-yl]propyl]piperidine.

Molecular Properties

Compound Name1-[3-[4-(4-chlorophenyl)-5-phenyltriazol-2-yl]propyl]piperidine
PubChem CID24985582
Molecular FormulaC22H25ClN4
Molecular Weight380.92 g/mol
Exact Mass380.18
IUPAC Name1-[3-[4-(4-chlorophenyl)-5-phenyltriazol-2-yl]propyl]piperidine
SMILESClc1ccc(-c2nn(CCCN3CCCCC3)nc2-c2ccccc2)cc1
InChIInChI=1S/C22H25ClN4/c23-20-12-10-19(11-13-20)22-21(18-8-3-1-4-9-18)24-27(25-22)17-7-16-26-14-5-2-6-15-26/h1,3-4,8-13H,2,5-7,14-17H2
InChIKeyRXLFBOFHZJXGRZ-UHFFFAOYSA-N
XLogP5.14
TPSA33.95 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500380.92
LogP ≤ 55.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-(4-chlorophenyl)-5-phenyl-2-(3-pyrrolidin-1-ylpropyl)triazole
CID 24985235
1-[3-(4-phenylphenoxy)propyl]piperidine
CID 56683751
1-[6-(4-phenylphenoxy)hexyl]piperidine
CID 155533744
1-[5-(4-chlorophenoxy)pentyl]azepane
CID 127038670
1-[10-(4-chlorophenoxy)decyl]piperidine
CID 70510591
4-(4-chlorophenyl)-N-methyl-5-phenyl-N-piperidin-1-yltriazole-2-carboxamide
CID 24955585
1-[5-(4-phenylphenoxy)pentyl]pyrrolidine
CID 11857856
2-[4-(4-chlorophenyl)-5-phenyltriazol-2-yl]-N-cyclohexylacetamide
CID 69293752
1-[2-[[2-(4-chlorophenyl)phenyl]methoxy]ethyl]piperidine;hydrochloride
CID 90150517
1-[2-(4-phenylphenoxy)ethyl]piperidine
CID 58483683
5-benzyl-3-(4-chlorophenyl)-N-(3-piperidin-1-ylpropyl)-1,2,4-triazin-6-amine
CID 19787795
2-benzyl-4-(4-chlorophenyl)-6-N-(2-piperidin-1-ylethyl)pyrazolo[3,4-d]pyrimidine-3,6-diamine
CID 42668016

Frequently Asked Questions

What is the IUPAC name of 1-[3-[4-(4-chlorophenyl)-5-phenyltriazol-2-yl]propyl]piperidine?
The IUPAC name of 1-[3-[4-(4-chlorophenyl)-5-phenyltriazol-2-yl]propyl]piperidine (CID 24985582) is 1-[3-[4-(4-chlorophenyl)-5-phenyltriazol-2-yl]propyl]piperidine.
What is the SMILES notation for 1-[3-[4-(4-chlorophenyl)-5-phenyltriazol-2-yl]propyl]piperidine?
The canonical SMILES for 1-[3-[4-(4-chlorophenyl)-5-phenyltriazol-2-yl]propyl]piperidine is Clc1ccc(-c2nn(CCCN3CCCCC3)nc2-c2ccccc2)cc1.
What is the InChIKey of 1-[3-[4-(4-chlorophenyl)-5-phenyltriazol-2-yl]propyl]piperidine?
The InChIKey is RXLFBOFHZJXGRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25ClN4/c23-20-12-10-19(11-13-20)22-21(18-8-3-1-4-9-18)24-27(25-22)17-7-16-26-14-5-2-6-15-26/h1,3-4,8-13H,2,5-7,14-17H2.
What are the key properties of 1-[3-[4-(4-chlorophenyl)-5-phenyltriazol-2-yl]propyl]piperidine?
1-[3-[4-(4-chlorophenyl)-5-phenyltriazol-2-yl]propyl]piperidine has a molecular weight of 380.92 g/mol, XLogP of 5.14, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[4-(4-chlorophenyl)-5-phenyltriazol-2-yl]propyl]piperidine is sourced from PubChem (CID 24985582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).