[1-[[1-(2-fluoroethyl)piperidin-4-yl]methyl]triazol-4-yl]methanol

C11H19FN4O — CID 121208549

IUPAC[1-[[1-(2-fluoroethyl)piperidin-4-yl]methyl]triazol-4-yl]methanol
SMILESOCc1cn(CC2CCN(CCF)CC2)nn1
InChIInChI=1S/C11H19FN4O/c12-3-6-15-4-1-10(2-5-15)7-16-8-11(9-17)13-14-16/h8,10,17H,1-7,9H2
InChIKeyZOYHLZJLRPOMGM-UHFFFAOYSA-N
MW242.30 g/mol
LogP0.45
Rot. Bonds5

About [1-[[1-(2-fluoroethyl)piperidin-4-yl]methyl]triazol-4-yl]methanol

[1-[[1-(2-fluoroethyl)piperidin-4-yl]methyl]triazol-4-yl]methanol (PubChem CID 121208549) has the molecular formula C11H19FN4O and a molecular weight of 242.30 g/mol. Its IUPAC name is [1-[[1-(2-fluoroethyl)piperidin-4-yl]methyl]triazol-4-yl]methanol.

Molecular Properties

Compound Name[1-[[1-(2-fluoroethyl)piperidin-4-yl]methyl]triazol-4-yl]methanol
PubChem CID121208549
Molecular FormulaC11H19FN4O
Molecular Weight242.30 g/mol
Exact Mass242.15
IUPAC Name[1-[[1-(2-fluoroethyl)piperidin-4-yl]methyl]triazol-4-yl]methanol
SMILESOCc1cn(CC2CCN(CCF)CC2)nn1
InChIInChI=1S/C11H19FN4O/c12-3-6-15-4-1-10(2-5-15)7-16-8-11(9-17)13-14-16/h8,10,17H,1-7,9H2
InChIKeyZOYHLZJLRPOMGM-UHFFFAOYSA-N
XLogP0.45
TPSA54.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.30
LogP ≤ 50.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [1-[[1-(2-fluoroethyl)piperidin-4-yl]methyl]triazol-4-yl]methanol?
The IUPAC name of [1-[[1-(2-fluoroethyl)piperidin-4-yl]methyl]triazol-4-yl]methanol (CID 121208549) is [1-[[1-(2-fluoroethyl)piperidin-4-yl]methyl]triazol-4-yl]methanol.
What is the SMILES notation for [1-[[1-(2-fluoroethyl)piperidin-4-yl]methyl]triazol-4-yl]methanol?
The canonical SMILES for [1-[[1-(2-fluoroethyl)piperidin-4-yl]methyl]triazol-4-yl]methanol is OCc1cn(CC2CCN(CCF)CC2)nn1.
What is the InChIKey of [1-[[1-(2-fluoroethyl)piperidin-4-yl]methyl]triazol-4-yl]methanol?
The InChIKey is ZOYHLZJLRPOMGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19FN4O/c12-3-6-15-4-1-10(2-5-15)7-16-8-11(9-17)13-14-16/h8,10,17H,1-7,9H2.
What are the key properties of [1-[[1-(2-fluoroethyl)piperidin-4-yl]methyl]triazol-4-yl]methanol?
[1-[[1-(2-fluoroethyl)piperidin-4-yl]methyl]triazol-4-yl]methanol has a molecular weight of 242.30 g/mol, XLogP of 0.45, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[[1-(2-fluoroethyl)piperidin-4-yl]methyl]triazol-4-yl]methanol is sourced from PubChem (CID 121208549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).