2-[5-[1-[2-(3-fluorophenoxy)ethyl]piperidin-4-yl]pyrazol-1-yl]ethanol

C18H24FN3O2 — CID 51104619

IUPAC2-[5-[1-[2-(3-fluorophenoxy)ethyl]piperidin-4-yl]pyrazol-1-yl]ethanol
SMILESOCCn1nccc1C1CCN(CCOc2cccc(F)c2)CC1
InChIInChI=1S/C18H24FN3O2/c19-16-2-1-3-17(14-16)24-13-11-21-8-5-15(6-9-21)18-4-7-20-22(18)10-12-23/h1-4,7,14-15,23H,5-6,8-13H2
InChIKeyUCAPXVFNGMJLQG-UHFFFAOYSA-N
MW333.41 g/mol
LogP2.27
Rot. Bonds7

About 2-[5-[1-[2-(3-fluorophenoxy)ethyl]piperidin-4-yl]pyrazol-1-yl]ethanol

2-[5-[1-[2-(3-fluorophenoxy)ethyl]piperidin-4-yl]pyrazol-1-yl]ethanol (PubChem CID 51104619) has the molecular formula C18H24FN3O2 and a molecular weight of 333.41 g/mol. Its IUPAC name is 2-[5-[1-[2-(3-fluorophenoxy)ethyl]piperidin-4-yl]pyrazol-1-yl]ethanol.

Molecular Properties

Compound Name2-[5-[1-[2-(3-fluorophenoxy)ethyl]piperidin-4-yl]pyrazol-1-yl]ethanol
PubChem CID51104619
Molecular FormulaC18H24FN3O2
Molecular Weight333.41 g/mol
Exact Mass333.19
IUPAC Name2-[5-[1-[2-(3-fluorophenoxy)ethyl]piperidin-4-yl]pyrazol-1-yl]ethanol
SMILESOCCn1nccc1C1CCN(CCOc2cccc(F)c2)CC1
InChIInChI=1S/C18H24FN3O2/c19-16-2-1-3-17(14-16)24-13-11-21-8-5-15(6-9-21)18-4-7-20-22(18)10-12-23/h1-4,7,14-15,23H,5-6,8-13H2
InChIKeyUCAPXVFNGMJLQG-UHFFFAOYSA-N
XLogP2.27
TPSA50.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.41
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[5-[1-[2-(3-fluorophenoxy)ethyl]piperidin-4-yl]pyrazol-1-yl]ethanol?
The IUPAC name of 2-[5-[1-[2-(3-fluorophenoxy)ethyl]piperidin-4-yl]pyrazol-1-yl]ethanol (CID 51104619) is 2-[5-[1-[2-(3-fluorophenoxy)ethyl]piperidin-4-yl]pyrazol-1-yl]ethanol.
What is the SMILES notation for 2-[5-[1-[2-(3-fluorophenoxy)ethyl]piperidin-4-yl]pyrazol-1-yl]ethanol?
The canonical SMILES for 2-[5-[1-[2-(3-fluorophenoxy)ethyl]piperidin-4-yl]pyrazol-1-yl]ethanol is OCCn1nccc1C1CCN(CCOc2cccc(F)c2)CC1.
What is the InChIKey of 2-[5-[1-[2-(3-fluorophenoxy)ethyl]piperidin-4-yl]pyrazol-1-yl]ethanol?
The InChIKey is UCAPXVFNGMJLQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24FN3O2/c19-16-2-1-3-17(14-16)24-13-11-21-8-5-15(6-9-21)18-4-7-20-22(18)10-12-23/h1-4,7,14-15,23H,5-6,8-13H2.
What are the key properties of 2-[5-[1-[2-(3-fluorophenoxy)ethyl]piperidin-4-yl]pyrazol-1-yl]ethanol?
2-[5-[1-[2-(3-fluorophenoxy)ethyl]piperidin-4-yl]pyrazol-1-yl]ethanol has a molecular weight of 333.41 g/mol, XLogP of 2.27, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[1-[2-(3-fluorophenoxy)ethyl]piperidin-4-yl]pyrazol-1-yl]ethanol is sourced from PubChem (CID 51104619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).