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

C16H19FN4O2 — CID 111435990

IUPAC[2-(4-fluorophenyl)triazol-4-yl]-[4-(1-hydroxyethyl)piperidin-1-yl]methanone
SMILESCC(O)C1CCN(C(=O)c2cnn(-c3ccc(F)cc3)n2)CC1
InChIInChI=1S/C16H19FN4O2/c1-11(22)12-6-8-20(9-7-12)16(23)15-10-18-21(19-15)14-4-2-13(17)3-5-14/h2-5,10-12,22H,6-9H2,1H3
InChIKeyXESCGQRHFMYLTK-UHFFFAOYSA-N
MW318.35 g/mol
LogP1.64
Rot. Bonds3

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

[2-(4-fluorophenyl)triazol-4-yl]-[4-(1-hydroxyethyl)piperidin-1-yl]methanone (PubChem CID 111435990) has the molecular formula C16H19FN4O2 and a molecular weight of 318.35 g/mol. Its IUPAC name is [2-(4-fluorophenyl)triazol-4-yl]-[4-(1-hydroxyethyl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name[2-(4-fluorophenyl)triazol-4-yl]-[4-(1-hydroxyethyl)piperidin-1-yl]methanone
PubChem CID111435990
Molecular FormulaC16H19FN4O2
Molecular Weight318.35 g/mol
Exact Mass318.15
IUPAC Name[2-(4-fluorophenyl)triazol-4-yl]-[4-(1-hydroxyethyl)piperidin-1-yl]methanone
SMILESCC(O)C1CCN(C(=O)c2cnn(-c3ccc(F)cc3)n2)CC1
InChIInChI=1S/C16H19FN4O2/c1-11(22)12-6-8-20(9-7-12)16(23)15-10-18-21(19-15)14-4-2-13(17)3-5-14/h2-5,10-12,22H,6-9H2,1H3
InChIKeyXESCGQRHFMYLTK-UHFFFAOYSA-N
XLogP1.64
TPSA71.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.35
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[2-(4-fluorophenyl)triazol-4-yl]-(4-hydroxypiperidin-1-yl)methanone
CID 111435926
[3-(1-aminoethyl)pyrrolidin-1-yl]-(2-phenyltriazol-4-yl)methanone
CID 115969425
[1-(4-fluorophenyl)pyrazol-3-yl]-[3-(1-hydroxyethyl)pyrrolidin-1-yl]methanone
CID 110023395
[2-(4-fluorophenyl)-1,3-thiazol-4-yl]-[4-(1-hydroxyethyl)piperidin-1-yl]methanone
CID 111434177
[2-[(4-fluorophenyl)methyl]-1,3-thiazol-4-yl]-[4-(1-hydroxyethyl)piperidin-1-yl]methanone
CID 111434191
[(2S)-2-(aminomethyl)piperidin-1-yl]-[2-(4-fluorophenyl)triazol-4-yl]methanone
CID 124573478
(4-ethoxypiperidin-1-yl)-(2-phenyltriazol-4-yl)methanone
CID 56817705
[3-(4-fluorophenyl)-1H-pyrazol-5-yl]-[4-(1-hydroxyethyl)piperidin-1-yl]methanone
CID 111434218
[2-(4-fluorophenyl)triazol-4-yl]-[2-(methylaminomethyl)pyrrolidin-1-yl]methanone;hydrochloride
CID 119650333
[2-(4-fluorophenyl)triazol-4-yl]-(1-oxa-4,9-diazaspiro[5.5]undecan-9-yl)methanone
CID 167800534
[4-(1-aminoethyl)piperidin-1-yl]-[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]methanone
CID 119517949
1-[2-(4-fluorophenyl)triazole-4-carbonyl]-6-methylpiperidine-3-carboxylic acid
CID 122113522

Frequently Asked Questions

What is the IUPAC name of [2-(4-fluorophenyl)triazol-4-yl]-[4-(1-hydroxyethyl)piperidin-1-yl]methanone?
The IUPAC name of [2-(4-fluorophenyl)triazol-4-yl]-[4-(1-hydroxyethyl)piperidin-1-yl]methanone (CID 111435990) is [2-(4-fluorophenyl)triazol-4-yl]-[4-(1-hydroxyethyl)piperidin-1-yl]methanone.
What is the SMILES notation for [2-(4-fluorophenyl)triazol-4-yl]-[4-(1-hydroxyethyl)piperidin-1-yl]methanone?
The canonical SMILES for [2-(4-fluorophenyl)triazol-4-yl]-[4-(1-hydroxyethyl)piperidin-1-yl]methanone is CC(O)C1CCN(C(=O)c2cnn(-c3ccc(F)cc3)n2)CC1.
What is the InChIKey of [2-(4-fluorophenyl)triazol-4-yl]-[4-(1-hydroxyethyl)piperidin-1-yl]methanone?
The InChIKey is XESCGQRHFMYLTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19FN4O2/c1-11(22)12-6-8-20(9-7-12)16(23)15-10-18-21(19-15)14-4-2-13(17)3-5-14/h2-5,10-12,22H,6-9H2,1H3.
What are the key properties of [2-(4-fluorophenyl)triazol-4-yl]-[4-(1-hydroxyethyl)piperidin-1-yl]methanone?
[2-(4-fluorophenyl)triazol-4-yl]-[4-(1-hydroxyethyl)piperidin-1-yl]methanone has a molecular weight of 318.35 g/mol, XLogP of 1.64, 3 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-(1-hydroxyethyl)piperidin-1-yl]methanone is sourced from PubChem (CID 111435990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).