2-[1-[5-(3-fluorophenyl)-1,2,4-triazin-3-yl]piperidin-4-yl]ethanol

C16H19FN4O — CID 42209757

IUPAC2-[1-[5-(3-fluorophenyl)-1,2,4-triazin-3-yl]piperidin-4-yl]ethanol
SMILESOCCC1CCN(c2nncc(-c3cccc(F)c3)n2)CC1
InChIInChI=1S/C16H19FN4O/c17-14-3-1-2-13(10-14)15-11-18-20-16(19-15)21-7-4-12(5-8-21)6-9-22/h1-3,10-12,22H,4-9H2
InChIKeySJIPIYBZAMYRMN-UHFFFAOYSA-N
MW302.35 g/mol
LogP2.28
Rot. Bonds4

About 2-[1-[5-(3-fluorophenyl)-1,2,4-triazin-3-yl]piperidin-4-yl]ethanol

2-[1-[5-(3-fluorophenyl)-1,2,4-triazin-3-yl]piperidin-4-yl]ethanol (PubChem CID 42209757) has the molecular formula C16H19FN4O and a molecular weight of 302.35 g/mol. Its IUPAC name is 2-[1-[5-(3-fluorophenyl)-1,2,4-triazin-3-yl]piperidin-4-yl]ethanol.

Molecular Properties

Compound Name2-[1-[5-(3-fluorophenyl)-1,2,4-triazin-3-yl]piperidin-4-yl]ethanol
PubChem CID42209757
Molecular FormulaC16H19FN4O
Molecular Weight302.35 g/mol
Exact Mass302.15
IUPAC Name2-[1-[5-(3-fluorophenyl)-1,2,4-triazin-3-yl]piperidin-4-yl]ethanol
SMILESOCCC1CCN(c2nncc(-c3cccc(F)c3)n2)CC1
InChIInChI=1S/C16H19FN4O/c17-14-3-1-2-13(10-14)15-11-18-20-16(19-15)21-7-4-12(5-8-21)6-9-22/h1-3,10-12,22H,4-9H2
InChIKeySJIPIYBZAMYRMN-UHFFFAOYSA-N
XLogP2.28
TPSA62.14 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.35
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-phenyl-1-(5-phenyl-1,2,4-triazin-3-yl)-5-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-5-ol
CID 15998969
5-Phenyl-3-(piperidin-1-yl)-1,2,4-triazine
CID 6400923
3-Morpholin-4-yl-5-phenyl-[1,2,4]triazine
CID 6401689
1-Ethyl-3-morpholino-5-phenyl-1,2,4-triazin-1-ium iodide
CID 6400920
US10029993, Example 170
CID 42198431
US10029993, Example 16
CID 136215041
US10029993, Example 180
CID 136215067
US10029993, Example 183
CID 136215068
as-Triazine, 3-(pentyloxy)-5-phenyl-
CID 3053052
1-Butyl-5-phenyl-3-(piperidin-1-yl)-1,2,4-triazin-1-ium
CID 6405341
4-(5-Phenyl-1-propyl-1,2,4-triazin-3-yl)morpholine, iodide
CID 15209953
[1-(6-Phenyl-3-pyridin-2-yl-1,2,4-triazin-5-yl)piperidin-4-yl]methanol
CID 44631786

Frequently Asked Questions

What is the IUPAC name of 2-[1-[5-(3-fluorophenyl)-1,2,4-triazin-3-yl]piperidin-4-yl]ethanol?
The IUPAC name of 2-[1-[5-(3-fluorophenyl)-1,2,4-triazin-3-yl]piperidin-4-yl]ethanol (CID 42209757) is 2-[1-[5-(3-fluorophenyl)-1,2,4-triazin-3-yl]piperidin-4-yl]ethanol.
What is the SMILES notation for 2-[1-[5-(3-fluorophenyl)-1,2,4-triazin-3-yl]piperidin-4-yl]ethanol?
The canonical SMILES for 2-[1-[5-(3-fluorophenyl)-1,2,4-triazin-3-yl]piperidin-4-yl]ethanol is OCCC1CCN(c2nncc(-c3cccc(F)c3)n2)CC1.
What is the InChIKey of 2-[1-[5-(3-fluorophenyl)-1,2,4-triazin-3-yl]piperidin-4-yl]ethanol?
The InChIKey is SJIPIYBZAMYRMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19FN4O/c17-14-3-1-2-13(10-14)15-11-18-20-16(19-15)21-7-4-12(5-8-21)6-9-22/h1-3,10-12,22H,4-9H2.
What are the key properties of 2-[1-[5-(3-fluorophenyl)-1,2,4-triazin-3-yl]piperidin-4-yl]ethanol?
2-[1-[5-(3-fluorophenyl)-1,2,4-triazin-3-yl]piperidin-4-yl]ethanol has a molecular weight of 302.35 g/mol, XLogP of 2.28, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[5-(3-fluorophenyl)-1,2,4-triazin-3-yl]piperidin-4-yl]ethanol is sourced from PubChem (CID 42209757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).