1-(2,5-difluorophenyl)-2-[4-(1H-1,2,4-triazol-5-yl)piperidin-1-yl]ethanol

C15H18F2N4O — CID 111916571

IUPAC1-(2,5-difluorophenyl)-2-[4-(1H-1,2,4-triazol-5-yl)piperidin-1-yl]ethanol
SMILESOC(CN1CCC(c2ncn[nH]2)CC1)c1cc(F)ccc1F
InChIInChI=1S/C15H18F2N4O/c16-11-1-2-13(17)12(7-11)14(22)8-21-5-3-10(4-6-21)15-18-9-19-20-15/h1-2,7,9-10,14,22H,3-6,8H2,(H,18,19,20)
InChIKeyHMYIMNQBAHBEEJ-UHFFFAOYSA-N
MW308.33 g/mol
LogP2.00
Rot. Bonds4

About 1-(2,5-difluorophenyl)-2-[4-(1H-1,2,4-triazol-5-yl)piperidin-1-yl]ethanol

1-(2,5-difluorophenyl)-2-[4-(1H-1,2,4-triazol-5-yl)piperidin-1-yl]ethanol (PubChem CID 111916571) has the molecular formula C15H18F2N4O and a molecular weight of 308.33 g/mol. Its IUPAC name is 1-(2,5-difluorophenyl)-2-[4-(1H-1,2,4-triazol-5-yl)piperidin-1-yl]ethanol.

Molecular Properties

Compound Name1-(2,5-difluorophenyl)-2-[4-(1H-1,2,4-triazol-5-yl)piperidin-1-yl]ethanol
PubChem CID111916571
Molecular FormulaC15H18F2N4O
Molecular Weight308.33 g/mol
Exact Mass308.14
IUPAC Name1-(2,5-difluorophenyl)-2-[4-(1H-1,2,4-triazol-5-yl)piperidin-1-yl]ethanol
SMILESOC(CN1CCC(c2ncn[nH]2)CC1)c1cc(F)ccc1F
InChIInChI=1S/C15H18F2N4O/c16-11-1-2-13(17)12(7-11)14(22)8-21-5-3-10(4-6-21)15-18-9-19-20-15/h1-2,7,9-10,14,22H,3-6,8H2,(H,18,19,20)
InChIKeyHMYIMNQBAHBEEJ-UHFFFAOYSA-N
XLogP2.00
TPSA65.04 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.33
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(1S)-1-(2,5-difluorophenyl)-2-[(3S)-3-phenylpyrrolidin-1-yl]ethanol
CID 100851245
(1R)-1-(2,4-difluorophenyl)-2-[4-(1H-pyrazol-5-yl)piperidin-1-yl]ethanol
CID 95142745
1-(2,5-difluorophenyl)-2-[3-(hydroxymethyl)pyrrolidin-1-yl]ethanol
CID 111442628
1-[[1-(2,4-difluorophenyl)pyrazol-3-yl]methyl]-4-(1H-1,2,4-triazol-5-yl)piperidine
CID 136535898
1-(2,4-difluorophenyl)-2-[4-(1H-pyrazol-4-yl)piperidin-1-yl]ethanol
CID 86773453
1-(2,5-difluorophenyl)-2-(3-methylpiperidin-1-yl)ethanol
CID 82217048
1-(2-fluorophenyl)-2-[(2S)-2-(1H-1,2,4-triazol-5-yl)pyrrolidin-1-yl]ethanol
CID 146139052
1-(2,5-difluorophenyl)-2-[4-(2-propan-2-yloxyethyl)piperazin-1-yl]ethanol
CID 111542742
1-(2,5-difluorophenyl)-2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)ethanol
CID 82217044
1-(2,5-difluorophenyl)-2-(2-methylpiperidin-1-yl)ethanol
CID 82217054
2-[1-[2-(2,5-difluorophenyl)-2-hydroxyethyl]piperidin-3-yl]acetamide
CID 111565375
6-[[4-(1H-1,2,4-triazol-5-yl)piperidin-1-yl]methyl]naphthalen-2-ol
CID 77078615

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-difluorophenyl)-2-[4-(1H-1,2,4-triazol-5-yl)piperidin-1-yl]ethanol?
The IUPAC name of 1-(2,5-difluorophenyl)-2-[4-(1H-1,2,4-triazol-5-yl)piperidin-1-yl]ethanol (CID 111916571) is 1-(2,5-difluorophenyl)-2-[4-(1H-1,2,4-triazol-5-yl)piperidin-1-yl]ethanol.
What is the SMILES notation for 1-(2,5-difluorophenyl)-2-[4-(1H-1,2,4-triazol-5-yl)piperidin-1-yl]ethanol?
The canonical SMILES for 1-(2,5-difluorophenyl)-2-[4-(1H-1,2,4-triazol-5-yl)piperidin-1-yl]ethanol is OC(CN1CCC(c2ncn[nH]2)CC1)c1cc(F)ccc1F.
What is the InChIKey of 1-(2,5-difluorophenyl)-2-[4-(1H-1,2,4-triazol-5-yl)piperidin-1-yl]ethanol?
The InChIKey is HMYIMNQBAHBEEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18F2N4O/c16-11-1-2-13(17)12(7-11)14(22)8-21-5-3-10(4-6-21)15-18-9-19-20-15/h1-2,7,9-10,14,22H,3-6,8H2,(H,18,19,20).
What are the key properties of 1-(2,5-difluorophenyl)-2-[4-(1H-1,2,4-triazol-5-yl)piperidin-1-yl]ethanol?
1-(2,5-difluorophenyl)-2-[4-(1H-1,2,4-triazol-5-yl)piperidin-1-yl]ethanol has a molecular weight of 308.33 g/mol, XLogP of 2.00, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-difluorophenyl)-2-[4-(1H-1,2,4-triazol-5-yl)piperidin-1-yl]ethanol is sourced from PubChem (CID 111916571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).