[2-(4-fluorophenyl)triazol-4-yl]-(4-hydroxypiperidin-1-yl)methanone

C14H15FN4O2 — CID 111435926

IUPAC[2-(4-fluorophenyl)triazol-4-yl]-(4-hydroxypiperidin-1-yl)methanone
SMILESO=C(c1cnn(-c2ccc(F)cc2)n1)N1CCC(O)CC1
InChIInChI=1S/C14H15FN4O2/c15-10-1-3-11(4-2-10)19-16-9-13(17-19)14(21)18-7-5-12(20)6-8-18/h1-4,9,12,20H,5-8H2
InChIKeyQFTDTJSEPXMJOH-UHFFFAOYSA-N
MW290.30 g/mol
LogP1.00
Rot. Bonds2

About [2-(4-fluorophenyl)triazol-4-yl]-(4-hydroxypiperidin-1-yl)methanone

[2-(4-fluorophenyl)triazol-4-yl]-(4-hydroxypiperidin-1-yl)methanone (PubChem CID 111435926) has the molecular formula C14H15FN4O2 and a molecular weight of 290.30 g/mol. Its IUPAC name is [2-(4-fluorophenyl)triazol-4-yl]-(4-hydroxypiperidin-1-yl)methanone.

Molecular Properties

Compound Name[2-(4-fluorophenyl)triazol-4-yl]-(4-hydroxypiperidin-1-yl)methanone
PubChem CID111435926
Molecular FormulaC14H15FN4O2
Molecular Weight290.30 g/mol
Exact Mass290.12
IUPAC Name[2-(4-fluorophenyl)triazol-4-yl]-(4-hydroxypiperidin-1-yl)methanone
SMILESO=C(c1cnn(-c2ccc(F)cc2)n1)N1CCC(O)CC1
InChIInChI=1S/C14H15FN4O2/c15-10-1-3-11(4-2-10)19-16-9-13(17-19)14(21)18-7-5-12(20)6-8-18/h1-4,9,12,20H,5-8H2
InChIKeyQFTDTJSEPXMJOH-UHFFFAOYSA-N
XLogP1.00
TPSA71.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.30
LogP ≤ 51.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[2-(4-fluorophenyl)triazol-4-yl]-[4-(1-hydroxyethyl)piperidin-1-yl]methanone
CID 111435990
[2-(4-fluorophenyl)triazol-4-yl]-(1-oxa-4,9-diazaspiro[5.5]undecan-9-yl)methanone
CID 167800534
[(2S)-2-(aminomethyl)piperidin-1-yl]-[2-(4-fluorophenyl)triazol-4-yl]methanone
CID 124573478
(3-hydroxyazetidin-1-yl)-(2-phenyltriazol-4-yl)methanone
CID 55178970
(4-benzylpiperidin-1-yl)-(2-phenyltriazol-4-yl)methanone
CID 110702375
[2-(4-fluorophenyl)triazol-4-yl]-[2-(methylaminomethyl)pyrrolidin-1-yl]methanone;hydrochloride
CID 119650333
[2-(4-fluorophenyl)morpholin-4-yl]-(2-phenyltriazol-4-yl)methanone
CID 134044299
1-(2-phenyltriazole-4-carbonyl)pyrrolidine-3-carboxylic acid
CID 63006198
1-[2-(4-fluorophenyl)triazole-4-carbonyl]-6-methylpiperidine-3-carboxylic acid
CID 122113522
[(3R)-3-aminopyrrolidin-1-yl]-(2-phenyltriazol-4-yl)methanone;hydrochloride
CID 119412778
(4-ethoxypiperidin-1-yl)-(2-phenyltriazol-4-yl)methanone
CID 56817705
(5,5-dioxo-1,5,2-oxathiazepan-2-yl)-[2-(4-fluorophenyl)triazol-4-yl]methanone
CID 155955331

Frequently Asked Questions

What is the IUPAC name of [2-(4-fluorophenyl)triazol-4-yl]-(4-hydroxypiperidin-1-yl)methanone?
The IUPAC name of [2-(4-fluorophenyl)triazol-4-yl]-(4-hydroxypiperidin-1-yl)methanone (CID 111435926) is [2-(4-fluorophenyl)triazol-4-yl]-(4-hydroxypiperidin-1-yl)methanone.
What is the SMILES notation for [2-(4-fluorophenyl)triazol-4-yl]-(4-hydroxypiperidin-1-yl)methanone?
The canonical SMILES for [2-(4-fluorophenyl)triazol-4-yl]-(4-hydroxypiperidin-1-yl)methanone is O=C(c1cnn(-c2ccc(F)cc2)n1)N1CCC(O)CC1.
What is the InChIKey of [2-(4-fluorophenyl)triazol-4-yl]-(4-hydroxypiperidin-1-yl)methanone?
The InChIKey is QFTDTJSEPXMJOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15FN4O2/c15-10-1-3-11(4-2-10)19-16-9-13(17-19)14(21)18-7-5-12(20)6-8-18/h1-4,9,12,20H,5-8H2.
What are the key properties of [2-(4-fluorophenyl)triazol-4-yl]-(4-hydroxypiperidin-1-yl)methanone?
[2-(4-fluorophenyl)triazol-4-yl]-(4-hydroxypiperidin-1-yl)methanone has a molecular weight of 290.30 g/mol, XLogP of 1.00, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-fluorophenyl)triazol-4-yl]-(4-hydroxypiperidin-1-yl)methanone is sourced from PubChem (CID 111435926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).