(4,4-difluoro-3-hydroxypiperidin-1-yl)-[2-(triazol-2-yl)phenyl]methanone

C14H14F2N4O2 — CID 134143971

IUPAC(4,4-difluoro-3-hydroxypiperidin-1-yl)-[2-(triazol-2-yl)phenyl]methanone
SMILESO=C(c1ccccc1-n1nccn1)N1CCC(F)(F)C(O)C1
InChIInChI=1S/C14H14F2N4O2/c15-14(16)5-8-19(9-12(14)21)13(22)10-3-1-2-4-11(10)20-17-6-7-18-20/h1-4,6-7,12,21H,5,8-9H2
InChIKeyRPDXIVGCXOQYAC-UHFFFAOYSA-N
MW308.29 g/mol
LogP1.11
Rot. Bonds2

About (4,4-difluoro-3-hydroxypiperidin-1-yl)-[2-(triazol-2-yl)phenyl]methanone

(4,4-difluoro-3-hydroxypiperidin-1-yl)-[2-(triazol-2-yl)phenyl]methanone (PubChem CID 134143971) has the molecular formula C14H14F2N4O2 and a molecular weight of 308.29 g/mol. Its IUPAC name is (4,4-difluoro-3-hydroxypiperidin-1-yl)-[2-(triazol-2-yl)phenyl]methanone.

Molecular Properties

Compound Name(4,4-difluoro-3-hydroxypiperidin-1-yl)-[2-(triazol-2-yl)phenyl]methanone
PubChem CID134143971
Molecular FormulaC14H14F2N4O2
Molecular Weight308.29 g/mol
Exact Mass308.11
IUPAC Name(4,4-difluoro-3-hydroxypiperidin-1-yl)-[2-(triazol-2-yl)phenyl]methanone
SMILESO=C(c1ccccc1-n1nccn1)N1CCC(F)(F)C(O)C1
InChIInChI=1S/C14H14F2N4O2/c15-14(16)5-8-19(9-12(14)21)13(22)10-3-1-2-4-11(10)20-17-6-7-18-20/h1-4,6-7,12,21H,5,8-9H2
InChIKeyRPDXIVGCXOQYAC-UHFFFAOYSA-N
XLogP1.11
TPSA71.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.29
LogP ≤ 51.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2-(2H-1,2,3-triazol-2-yl)phenyl) ((2R,5R)-2-methyl-5-(4-((S)-2,2,2-trifluoro-1-hydroxyethyl)-2H-1,2,3-triazol-2-yl)piperidin-1-yl)methanone
CID 121314207
(2-(2H-1,2,3-triazol-2-yl)phenyl)((2R,5R)-2-methyl-5-(4-((R)-2,2,2-trifluoro-1-hydroxyethyl)-2H-1,2,3-triazol-2-yl)piperidin-1-yl)methanone
CID 121314211
[(4S)-4-hydroxy-3,3-dimethylpiperidin-1-yl]-[2-(triazol-1-yl)phenyl]methanone
CID 164635727
[2-(triazol-1-yl)phenyl]-[(3S)-3-(2,2,2-trifluoroethoxy)piperidin-1-yl]methanone
CID 164637843
3-fluoro-N-(piperidin-4-ylmethyl)-2-(triazol-2-yl)benzamide
CID 89730187
(S)-(3-(1H-1,2,3-Triazol-1-yl)phenyl)(4,4-difluoro-3-hydroxypiperidin-1-yl)methanone
CID 90298361
[2-fluoro-6-(triazol-2-yl)phenyl]-[(2S,3R)-3-hydroxy-2-methylpiperidin-1-yl]methanone
CID 117636032
[3-fluoro-2-(triazol-2-yl)phenyl]-[(2S,3R)-3-hydroxy-2-methylpiperidin-1-yl]methanone
CID 117636055
(4,4-Difluoro-3-hydroxypiperidin-1-yl)-[3-(triazol-1-yl)phenyl]methanone
CID 118496851
[(2R)-3,3-difluoro-2-(hydroxymethyl)pyrrolidin-1-yl]-[5-methyl-2-(triazol-2-yl)phenyl]methanone
CID 118865504
[3,3-Difluoro-2-(hydroxymethyl)pyrrolidin-1-yl]-[5-methyl-2-(triazol-2-yl)phenyl]methanone
CID 118865506
[3-Fluoro-2-(triazol-2-yl)phenyl]-(2-hydroxy-7-azabicyclo[2.2.1]heptan-7-yl)methanone
CID 118868001

Frequently Asked Questions

What is the IUPAC name of (4,4-difluoro-3-hydroxypiperidin-1-yl)-[2-(triazol-2-yl)phenyl]methanone?
The IUPAC name of (4,4-difluoro-3-hydroxypiperidin-1-yl)-[2-(triazol-2-yl)phenyl]methanone (CID 134143971) is (4,4-difluoro-3-hydroxypiperidin-1-yl)-[2-(triazol-2-yl)phenyl]methanone.
What is the SMILES notation for (4,4-difluoro-3-hydroxypiperidin-1-yl)-[2-(triazol-2-yl)phenyl]methanone?
The canonical SMILES for (4,4-difluoro-3-hydroxypiperidin-1-yl)-[2-(triazol-2-yl)phenyl]methanone is O=C(c1ccccc1-n1nccn1)N1CCC(F)(F)C(O)C1.
What is the InChIKey of (4,4-difluoro-3-hydroxypiperidin-1-yl)-[2-(triazol-2-yl)phenyl]methanone?
The InChIKey is RPDXIVGCXOQYAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14F2N4O2/c15-14(16)5-8-19(9-12(14)21)13(22)10-3-1-2-4-11(10)20-17-6-7-18-20/h1-4,6-7,12,21H,5,8-9H2.
What are the key properties of (4,4-difluoro-3-hydroxypiperidin-1-yl)-[2-(triazol-2-yl)phenyl]methanone?
(4,4-difluoro-3-hydroxypiperidin-1-yl)-[2-(triazol-2-yl)phenyl]methanone has a molecular weight of 308.29 g/mol, XLogP of 1.11, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4,4-difluoro-3-hydroxypiperidin-1-yl)-[2-(triazol-2-yl)phenyl]methanone is sourced from PubChem (CID 134143971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).