(1R)-1-(3-fluorophenyl)-2-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]ethanol

C19H21FN4O — CID 95623551

IUPAC(1R)-1-(3-fluorophenyl)-2-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]ethanol
SMILESO[C@@H](CN1CCC(c2nnc3ccccn23)CC1)c1cccc(F)c1
InChIInChI=1S/C19H21FN4O/c20-16-5-3-4-15(12-16)17(25)13-23-10-7-14(8-11-23)19-22-21-18-6-1-2-9-24(18)19/h1-6,9,12,14,17,25H,7-8,10-11,13H2/t17-/m0/s1
InChIKeyRKNIPOTWFOJOIM-KRWDZBQOSA-N
MW340.40 g/mol
LogP2.78
Rot. Bonds4

About (1R)-1-(3-fluorophenyl)-2-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]ethanol

(1R)-1-(3-fluorophenyl)-2-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]ethanol (PubChem CID 95623551) has the molecular formula C19H21FN4O and a molecular weight of 340.40 g/mol. Its IUPAC name is (1R)-1-(3-fluorophenyl)-2-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]ethanol.

Molecular Properties

Compound Name(1R)-1-(3-fluorophenyl)-2-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]ethanol
PubChem CID95623551
Molecular FormulaC19H21FN4O
Molecular Weight340.40 g/mol
Exact Mass340.17
IUPAC Name(1R)-1-(3-fluorophenyl)-2-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]ethanol
SMILESO[C@@H](CN1CCC(c2nnc3ccccn23)CC1)c1cccc(F)c1
InChIInChI=1S/C19H21FN4O/c20-16-5-3-4-15(12-16)17(25)13-23-10-7-14(8-11-23)19-22-21-18-6-1-2-9-24(18)19/h1-6,9,12,14,17,25H,7-8,10-11,13H2/t17-/m0/s1
InChIKeyRKNIPOTWFOJOIM-KRWDZBQOSA-N
XLogP2.78
TPSA53.66 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.40
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (1R)-1-(3-fluorophenyl)-2-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]ethanol with MolForge

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Related Compounds

1-phenyl-2-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]ethanol
CID 111436337
3-[1-[(2-bromo-4-fluorophenyl)methyl]piperidin-4-yl]-[1,2,4]triazolo[4,3-a]pyridine
CID 86915583
(1S)-2-[4-(1,3-benzoxazol-2-yl)piperidin-1-yl]-1-(3-fluorophenyl)ethanol
CID 94380549
[4-[[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]methyl]phenyl]methanol
CID 110009006
3-[1-[(2S)-butan-2-yl]piperidin-4-yl]-[1,2,4]triazolo[4,3-a]pyridine
CID 99782748
(2R)-3-cyclobutyl-2-[(3S,4S)-3-(3-fluorophenyl)-4-[[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]methyl]pyrrolidin-1-yl]propanoic acid
CID 20664115
5-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]pentanenitrile
CID 86911616
3-[2-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]ethyl]-1,3-oxazolidin-2-one
CID 56788570
[1-(3-fluorophenyl)cyclopropyl]-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]methanone
CID 138998462
2-(2-chlorophenyl)sulfanyl-1-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]ethanone
CID 31742653
(1R)-1-(2-fluorophenyl)-2-[(2S)-2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)pyrrolidin-1-yl]ethanol
CID 124788035
N-(2,4-difluorophenyl)-2-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]propanamide
CID 119038879

Frequently Asked Questions

What is the IUPAC name of (1R)-1-(3-fluorophenyl)-2-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]ethanol?
The IUPAC name of (1R)-1-(3-fluorophenyl)-2-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]ethanol (CID 95623551) is (1R)-1-(3-fluorophenyl)-2-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]ethanol.
What is the SMILES notation for (1R)-1-(3-fluorophenyl)-2-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]ethanol?
The canonical SMILES for (1R)-1-(3-fluorophenyl)-2-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]ethanol is O[C@@H](CN1CCC(c2nnc3ccccn23)CC1)c1cccc(F)c1.
What is the InChIKey of (1R)-1-(3-fluorophenyl)-2-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]ethanol?
The InChIKey is RKNIPOTWFOJOIM-KRWDZBQOSA-N. The full InChI is InChI=1S/C19H21FN4O/c20-16-5-3-4-15(12-16)17(25)13-23-10-7-14(8-11-23)19-22-21-18-6-1-2-9-24(18)19/h1-6,9,12,14,17,25H,7-8,10-11,13H2/t17-/m0/s1.
What are the key properties of (1R)-1-(3-fluorophenyl)-2-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]ethanol?
(1R)-1-(3-fluorophenyl)-2-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]ethanol has a molecular weight of 340.40 g/mol, XLogP of 2.78, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-(3-fluorophenyl)-2-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]ethanol is sourced from PubChem (CID 95623551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).