2-[3-(4-cyclopropyl-1,2,4-triazol-3-yl)piperidin-1-yl]-1-(2-fluorophenyl)ethanol

C18H23FN4O — CID 75442495

IUPAC2-[3-(4-cyclopropyl-1,2,4-triazol-3-yl)piperidin-1-yl]-1-(2-fluorophenyl)ethanol
SMILESOC(CN1CCCC(c2nncn2C2CC2)C1)c1ccccc1F
InChIInChI=1S/C18H23FN4O/c19-16-6-2-1-5-15(16)17(24)11-22-9-3-4-13(10-22)18-21-20-12-23(18)14-7-8-14/h1-2,5-6,12-14,17,24H,3-4,7-11H2
InChIKeyMGBOIVKIWHAVIA-UHFFFAOYSA-N
MW330.41 g/mol
LogP2.67
Rot. Bonds5

About 2-[3-(4-cyclopropyl-1,2,4-triazol-3-yl)piperidin-1-yl]-1-(2-fluorophenyl)ethanol

2-[3-(4-cyclopropyl-1,2,4-triazol-3-yl)piperidin-1-yl]-1-(2-fluorophenyl)ethanol (PubChem CID 75442495) has the molecular formula C18H23FN4O and a molecular weight of 330.41 g/mol. Its IUPAC name is 2-[3-(4-cyclopropyl-1,2,4-triazol-3-yl)piperidin-1-yl]-1-(2-fluorophenyl)ethanol.

Molecular Properties

Compound Name2-[3-(4-cyclopropyl-1,2,4-triazol-3-yl)piperidin-1-yl]-1-(2-fluorophenyl)ethanol
PubChem CID75442495
Molecular FormulaC18H23FN4O
Molecular Weight330.41 g/mol
Exact Mass330.19
IUPAC Name2-[3-(4-cyclopropyl-1,2,4-triazol-3-yl)piperidin-1-yl]-1-(2-fluorophenyl)ethanol
SMILESOC(CN1CCCC(c2nncn2C2CC2)C1)c1ccccc1F
InChIInChI=1S/C18H23FN4O/c19-16-6-2-1-5-15(16)17(24)11-22-9-3-4-13(10-22)18-21-20-12-23(18)14-7-8-14/h1-2,5-6,12-14,17,24H,3-4,7-11H2
InChIKeyMGBOIVKIWHAVIA-UHFFFAOYSA-N
XLogP2.67
TPSA54.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.41
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

Efinaconazole
CID 489181
[1-[(1-Methylpiperidin-4-yl)methyl]-1,2,4-triazol-3-yl]-diphenylmethanol
CID 122194236
Cyclohexyl-[1-[(1-methylpiperidin-4-yl)methyl]-1,2,4-triazol-3-yl]-phenylmethanol
CID 122194237
2-[4-[(4,5-Dimethyl-1,2,4-triazol-3-yl)methyl]piperazin-1-yl]-1-(3-fluorophenyl)ethanol
CID 56780869
S,S-Efinaconazole
CID 489129
2-(2,4-Difluorophenyl)-3-(1-piperidyl)-1-(1,2,4-triazol-1-yl)butan-2-ol
CID 489131
1-(4-fluorophenyl)-2-(3-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)ethanol
CID 53600419
1-(3-Fluorophenyl)-2-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-ylamino)ethanol
CID 53618549
1-(4-Fluorophenyl)-2-[2-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]ethanol
CID 56780627
1-(2-Fluorophenyl)-2-[2-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]ethanol
CID 56780633
(R)-[1-cyclohexyl-5-[2-(tetrazol-1-yl)ethyl]-1,2,4-triazol-3-yl]-phenylmethanol
CID 97433929
2-[5-[(5-fluoro-2-methylphenyl)methyl]-3-[(R)-hydroxy(phenyl)methyl]-1,2,4-triazol-1-yl]ethanol
CID 97444944

Frequently Asked Questions

What is the IUPAC name of 2-[3-(4-cyclopropyl-1,2,4-triazol-3-yl)piperidin-1-yl]-1-(2-fluorophenyl)ethanol?
The IUPAC name of 2-[3-(4-cyclopropyl-1,2,4-triazol-3-yl)piperidin-1-yl]-1-(2-fluorophenyl)ethanol (CID 75442495) is 2-[3-(4-cyclopropyl-1,2,4-triazol-3-yl)piperidin-1-yl]-1-(2-fluorophenyl)ethanol.
What is the SMILES notation for 2-[3-(4-cyclopropyl-1,2,4-triazol-3-yl)piperidin-1-yl]-1-(2-fluorophenyl)ethanol?
The canonical SMILES for 2-[3-(4-cyclopropyl-1,2,4-triazol-3-yl)piperidin-1-yl]-1-(2-fluorophenyl)ethanol is OC(CN1CCCC(c2nncn2C2CC2)C1)c1ccccc1F.
What is the InChIKey of 2-[3-(4-cyclopropyl-1,2,4-triazol-3-yl)piperidin-1-yl]-1-(2-fluorophenyl)ethanol?
The InChIKey is MGBOIVKIWHAVIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23FN4O/c19-16-6-2-1-5-15(16)17(24)11-22-9-3-4-13(10-22)18-21-20-12-23(18)14-7-8-14/h1-2,5-6,12-14,17,24H,3-4,7-11H2.
What are the key properties of 2-[3-(4-cyclopropyl-1,2,4-triazol-3-yl)piperidin-1-yl]-1-(2-fluorophenyl)ethanol?
2-[3-(4-cyclopropyl-1,2,4-triazol-3-yl)piperidin-1-yl]-1-(2-fluorophenyl)ethanol has a molecular weight of 330.41 g/mol, XLogP of 2.67, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(4-cyclopropyl-1,2,4-triazol-3-yl)piperidin-1-yl]-1-(2-fluorophenyl)ethanol is sourced from PubChem (CID 75442495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).