[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-(5-methyl-2-phenyltriazol-4-yl)methanone

C21H21ClN4O2 — CID 2815864

IUPAC[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-(5-methyl-2-phenyltriazol-4-yl)methanone
SMILESCc1nn(-c2ccccc2)nc1C(=O)N1CCC(O)(c2ccc(Cl)cc2)CC1
InChIInChI=1S/C21H21ClN4O2/c1-15-19(24-26(23-15)18-5-3-2-4-6-18)20(27)25-13-11-21(28,12-14-25)16-7-9-17(22)10-8-16/h2-10,28H,11-14H2,1H3
InChIKeyWOKREELBTKSZQM-UHFFFAOYSA-N
MW396.88 g/mol
LogP3.35
Rot. Bonds3

About [4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-(5-methyl-2-phenyltriazol-4-yl)methanone

[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-(5-methyl-2-phenyltriazol-4-yl)methanone (PubChem CID 2815864) has the molecular formula C21H21ClN4O2 and a molecular weight of 396.88 g/mol. Its IUPAC name is [4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-(5-methyl-2-phenyltriazol-4-yl)methanone.

Molecular Properties

Compound Name[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-(5-methyl-2-phenyltriazol-4-yl)methanone
PubChem CID2815864
Molecular FormulaC21H21ClN4O2
Molecular Weight396.88 g/mol
Exact Mass396.14
IUPAC Name[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-(5-methyl-2-phenyltriazol-4-yl)methanone
SMILESCc1nn(-c2ccccc2)nc1C(=O)N1CCC(O)(c2ccc(Cl)cc2)CC1
InChIInChI=1S/C21H21ClN4O2/c1-15-19(24-26(23-15)18-5-3-2-4-6-18)20(27)25-13-11-21(28,12-14-25)16-7-9-17(22)10-8-16/h2-10,28H,11-14H2,1H3
InChIKeyWOKREELBTKSZQM-UHFFFAOYSA-N
XLogP3.35
TPSA71.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.88
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2-fluorophenyl)-[4-(5-methyl-2-phenyltriazole-4-carbonyl)piperazin-1-yl]methanone
CID 30752856
[4-(3-methylphenyl)piperazin-1-yl]-(5-methyl-2-phenyltriazol-4-yl)methanone
CID 27049072
[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-(3,5-dimethyl-1,2-oxazol-4-yl)methanone
CID 71706126
[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-[2-(5-methyltetrazol-1-yl)phenyl]methanone
CID 56762110
1-[4-[2-(3-chlorophenyl)-5-methyltriazole-4-carbonyl]-1,4-diazepan-1-yl]ethanone
CID 78827860
(2-aminophenyl)-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]methanone
CID 851820
[1-(5-methyl-2-phenyltriazole-4-carbonyl)piperidin-4-yl]-phenylmethanone
CID 17445120
[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-(2,3-dimethylquinoxalin-6-yl)methanone
CID 71704467
[2-(3-chlorophenyl)-5-methyltriazol-4-yl]-(2,2-dimethylmorpholin-4-yl)methanone
CID 35021738
2-(4-chlorophenyl)-3-(5-methyl-2-phenyltriazole-4-carbonyl)-3,6,11-triazatricyclo[6.4.0.02,6]dodeca-1(8),9,11-trien-7-one
CID 11408811
2,2-dimethyl-1-[2-(5-methyl-2-phenyltriazole-4-carbonyl)pyrazolidin-1-yl]propan-1-one
CID 3728006
[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-[3-(1,3,5-trimethylpyrazol-4-yl)-1H-pyrazol-5-yl]methanone
CID 71708955

Frequently Asked Questions

What is the IUPAC name of [4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-(5-methyl-2-phenyltriazol-4-yl)methanone?
The IUPAC name of [4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-(5-methyl-2-phenyltriazol-4-yl)methanone (CID 2815864) is [4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-(5-methyl-2-phenyltriazol-4-yl)methanone.
What is the SMILES notation for [4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-(5-methyl-2-phenyltriazol-4-yl)methanone?
The canonical SMILES for [4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-(5-methyl-2-phenyltriazol-4-yl)methanone is Cc1nn(-c2ccccc2)nc1C(=O)N1CCC(O)(c2ccc(Cl)cc2)CC1.
What is the InChIKey of [4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-(5-methyl-2-phenyltriazol-4-yl)methanone?
The InChIKey is WOKREELBTKSZQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21ClN4O2/c1-15-19(24-26(23-15)18-5-3-2-4-6-18)20(27)25-13-11-21(28,12-14-25)16-7-9-17(22)10-8-16/h2-10,28H,11-14H2,1H3.
What are the key properties of [4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-(5-methyl-2-phenyltriazol-4-yl)methanone?
[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-(5-methyl-2-phenyltriazol-4-yl)methanone has a molecular weight of 396.88 g/mol, XLogP of 3.35, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-(5-methyl-2-phenyltriazol-4-yl)methanone is sourced from PubChem (CID 2815864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).