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

C14H14F2N4O2 — CID 118496851

IUPAC(4,4-difluoro-3-hydroxypiperidin-1-yl)-[3-(triazol-1-yl)phenyl]methanone
SMILESO=C(c1cccc(-n2ccnn2)c1)N1CCC(F)(F)C(O)C1
InChIInChI=1S/C14H14F2N4O2/c15-14(16)4-6-19(9-12(14)21)13(22)10-2-1-3-11(8-10)20-7-5-17-18-20/h1-3,5,7-8,12,21H,4,6,9H2
InChIKeyZTLGZWUXDNMMPG-UHFFFAOYSA-N
MW308.29 g/mol
LogP1.11
Rot. Bonds2

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

(4,4-difluoro-3-hydroxypiperidin-1-yl)-[3-(triazol-1-yl)phenyl]methanone (PubChem CID 118496851) 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)-[3-(triazol-1-yl)phenyl]methanone.

Molecular Properties

Compound Name(4,4-difluoro-3-hydroxypiperidin-1-yl)-[3-(triazol-1-yl)phenyl]methanone
PubChem CID118496851
Molecular FormulaC14H14F2N4O2
Molecular Weight308.29 g/mol
Exact Mass308.11
IUPAC Name(4,4-difluoro-3-hydroxypiperidin-1-yl)-[3-(triazol-1-yl)phenyl]methanone
SMILESO=C(c1cccc(-n2ccnn2)c1)N1CCC(F)(F)C(O)C1
InChIInChI=1S/C14H14F2N4O2/c15-14(16)4-6-19(9-12(14)21)13(22)10-2-1-3-11(8-10)20-7-5-17-18-20/h1-3,5,7-8,12,21H,4,6,9H2
InChIKeyZTLGZWUXDNMMPG-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-cyclopropylmorpholin-4-yl)-[3-(triazol-1-yl)phenyl]methanone
CID 154799180
(4,4-difluoropiperidin-1-yl)-(3-pyrazol-1-ylphenyl)methanone
CID 139027277
[(6S)-6-(methoxymethyl)-2,2-dimethylmorpholin-4-yl]-[3-(triazol-1-yl)phenyl]methanone
CID 129484539
(3-quinolin-2-yloxypiperidin-1-yl)-[3-(triazol-1-yl)phenyl]methanone
CID 144671440
[4-(dimethylamino)-3,3-difluoropyrrolidin-1-yl]-[4-(triazol-1-yl)phenyl]methanone
CID 174914265
(3-hydroxypiperidin-1-yl)-[3-(tetrazol-1-yl)phenyl]methanone
CID 110881986
[(5S)-5-hydroxy-1-oxa-9-azaspiro[5.5]undecan-9-yl]-(3-pyrazol-1-ylphenyl)methanone
CID 97189447
[1-[3-(triazol-1-yl)benzoyl]piperidin-2-yl]methyl morpholine-4-carboxylate
CID 126803064
(3R)-1-(3-pyrazol-1-ylbenzoyl)pyrrolidine-3-carboxylic acid
CID 129350524
1-(3-pyrazol-1-ylbenzoyl)pyrrolidine-3-carboxylic acid
CID 126768644
N-[6-(3-pyrazol-1-ylbenzoyl)-6-azaspiro[2.5]octan-2-yl]acetamide
CID 169419360
(3-bromophenyl)-[(3S)-3-(triazol-1-yl)pyrrolidin-1-yl]methanone
CID 99877388

Frequently Asked Questions

What is the IUPAC name of (4,4-difluoro-3-hydroxypiperidin-1-yl)-[3-(triazol-1-yl)phenyl]methanone?
The IUPAC name of (4,4-difluoro-3-hydroxypiperidin-1-yl)-[3-(triazol-1-yl)phenyl]methanone (CID 118496851) is (4,4-difluoro-3-hydroxypiperidin-1-yl)-[3-(triazol-1-yl)phenyl]methanone.
What is the SMILES notation for (4,4-difluoro-3-hydroxypiperidin-1-yl)-[3-(triazol-1-yl)phenyl]methanone?
The canonical SMILES for (4,4-difluoro-3-hydroxypiperidin-1-yl)-[3-(triazol-1-yl)phenyl]methanone is O=C(c1cccc(-n2ccnn2)c1)N1CCC(F)(F)C(O)C1.
What is the InChIKey of (4,4-difluoro-3-hydroxypiperidin-1-yl)-[3-(triazol-1-yl)phenyl]methanone?
The InChIKey is ZTLGZWUXDNMMPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14F2N4O2/c15-14(16)4-6-19(9-12(14)21)13(22)10-2-1-3-11(8-10)20-7-5-17-18-20/h1-3,5,7-8,12,21H,4,6,9H2.
What are the key properties of (4,4-difluoro-3-hydroxypiperidin-1-yl)-[3-(triazol-1-yl)phenyl]methanone?
(4,4-difluoro-3-hydroxypiperidin-1-yl)-[3-(triazol-1-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)-[3-(triazol-1-yl)phenyl]methanone is sourced from PubChem (CID 118496851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).