1-(2,6-difluorophenyl)-2-[4-(4-ethyl-1,2,4-triazol-3-yl)piperidin-1-yl]ethanol

C17H22F2N4O — CID 111105329

IUPAC1-(2,6-difluorophenyl)-2-[4-(4-ethyl-1,2,4-triazol-3-yl)piperidin-1-yl]ethanol
SMILESCCn1cnnc1C1CCN(CC(O)c2c(F)cccc2F)CC1
InChIInChI=1S/C17H22F2N4O/c1-2-23-11-20-21-17(23)12-6-8-22(9-7-12)10-15(24)16-13(18)4-3-5-14(16)19/h3-5,11-12,15,24H,2,6-10H2,1H3
InChIKeyHHKJGFWGZUEVCN-UHFFFAOYSA-N
MW336.39 g/mol
LogP2.49
Rot. Bonds5

About 1-(2,6-difluorophenyl)-2-[4-(4-ethyl-1,2,4-triazol-3-yl)piperidin-1-yl]ethanol

1-(2,6-difluorophenyl)-2-[4-(4-ethyl-1,2,4-triazol-3-yl)piperidin-1-yl]ethanol (PubChem CID 111105329) has the molecular formula C17H22F2N4O and a molecular weight of 336.39 g/mol. Its IUPAC name is 1-(2,6-difluorophenyl)-2-[4-(4-ethyl-1,2,4-triazol-3-yl)piperidin-1-yl]ethanol.

Molecular Properties

Compound Name1-(2,6-difluorophenyl)-2-[4-(4-ethyl-1,2,4-triazol-3-yl)piperidin-1-yl]ethanol
PubChem CID111105329
Molecular FormulaC17H22F2N4O
Molecular Weight336.39 g/mol
Exact Mass336.18
IUPAC Name1-(2,6-difluorophenyl)-2-[4-(4-ethyl-1,2,4-triazol-3-yl)piperidin-1-yl]ethanol
SMILESCCn1cnnc1C1CCN(CC(O)c2c(F)cccc2F)CC1
InChIInChI=1S/C17H22F2N4O/c1-2-23-11-20-21-17(23)12-6-8-22(9-7-12)10-15(24)16-13(18)4-3-5-14(16)19/h3-5,11-12,15,24H,2,6-10H2,1H3
InChIKeyHHKJGFWGZUEVCN-UHFFFAOYSA-N
XLogP2.49
TPSA54.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.39
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-(2,6-difluorophenyl)-2-[4-(4-ethyl-1,2,4-triazol-3-yl)piperidin-1-yl]ethanol with MolForge

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Related Compounds

Efinaconazole
CID 489181
alpha-(2,4-Difluorophenyl)-1H-1,2,4-triazole-1-ethanol
CID 6426669
[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-(2,4-Difluorophenyl)-1-(4-methylpiperazin-1-yl)-3-(1,2,4-triazol-1-yl)propan-2-ol
CID 9902361
(2R,3R)-2-(2,4-difluorophenyl)-3-(6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl)-1-(1,2,4-triazol-1-yl)butan-2-ol
CID 77847787
S,S-Efinaconazole
CID 489129
2-(2,4-Difluorophenyl)-3-(1-piperidyl)-1-(1,2,4-triazol-1-yl)butan-2-ol
CID 489131
(2-Butyl-1,2,4-triazol-3-yl)-diphenylmethanol
CID 3693891
1-[2-(2,4-Difluorophenyl)-2-hydroxy-3-(1,2,4-triazol-1-yl)propyl]piperidin-4-one oxime
CID 46844037
2-[4-[(4,5-Dimethyl-1,2,4-triazol-3-yl)methyl]piperazin-1-yl]-1-(3-fluorophenyl)ethanol
CID 56780869
2-(2,4-Difluorophenyl)-1-(4-pentylpiperazin-1-yl)-3-(1,2,4-triazol-1-yl)propan-2-ol
CID 137656540

Frequently Asked Questions

What is the IUPAC name of 1-(2,6-difluorophenyl)-2-[4-(4-ethyl-1,2,4-triazol-3-yl)piperidin-1-yl]ethanol?
The IUPAC name of 1-(2,6-difluorophenyl)-2-[4-(4-ethyl-1,2,4-triazol-3-yl)piperidin-1-yl]ethanol (CID 111105329) is 1-(2,6-difluorophenyl)-2-[4-(4-ethyl-1,2,4-triazol-3-yl)piperidin-1-yl]ethanol.
What is the SMILES notation for 1-(2,6-difluorophenyl)-2-[4-(4-ethyl-1,2,4-triazol-3-yl)piperidin-1-yl]ethanol?
The canonical SMILES for 1-(2,6-difluorophenyl)-2-[4-(4-ethyl-1,2,4-triazol-3-yl)piperidin-1-yl]ethanol is CCn1cnnc1C1CCN(CC(O)c2c(F)cccc2F)CC1.
What is the InChIKey of 1-(2,6-difluorophenyl)-2-[4-(4-ethyl-1,2,4-triazol-3-yl)piperidin-1-yl]ethanol?
The InChIKey is HHKJGFWGZUEVCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22F2N4O/c1-2-23-11-20-21-17(23)12-6-8-22(9-7-12)10-15(24)16-13(18)4-3-5-14(16)19/h3-5,11-12,15,24H,2,6-10H2,1H3.
What are the key properties of 1-(2,6-difluorophenyl)-2-[4-(4-ethyl-1,2,4-triazol-3-yl)piperidin-1-yl]ethanol?
1-(2,6-difluorophenyl)-2-[4-(4-ethyl-1,2,4-triazol-3-yl)piperidin-1-yl]ethanol has a molecular weight of 336.39 g/mol, XLogP of 2.49, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-difluorophenyl)-2-[4-(4-ethyl-1,2,4-triazol-3-yl)piperidin-1-yl]ethanol is sourced from PubChem (CID 111105329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).