1-[1-[4-fluoro-2-(1-hydroxyethyl)-5-methylphenyl]piperidin-4-yl]ethanol

C16H24FNO2 — CID 106836488

IUPAC1-[1-[4-fluoro-2-(1-hydroxyethyl)-5-methylphenyl]piperidin-4-yl]ethanol
SMILESCc1cc(N2CCC(C(C)O)CC2)c(C(C)O)cc1F
InChIInChI=1S/C16H24FNO2/c1-10-8-16(14(12(3)20)9-15(10)17)18-6-4-13(5-7-18)11(2)19/h8-9,11-13,19-20H,4-7H2,1-3H3
InChIKeyGHQBMAHOXVVFLP-UHFFFAOYSA-N
MW281.37 g/mol
LogP2.78
Rot. Bonds3

About 1-[1-[4-fluoro-2-(1-hydroxyethyl)-5-methylphenyl]piperidin-4-yl]ethanol

1-[1-[4-fluoro-2-(1-hydroxyethyl)-5-methylphenyl]piperidin-4-yl]ethanol (PubChem CID 106836488) has the molecular formula C16H24FNO2 and a molecular weight of 281.37 g/mol. Its IUPAC name is 1-[1-[4-fluoro-2-(1-hydroxyethyl)-5-methylphenyl]piperidin-4-yl]ethanol.

Molecular Properties

Compound Name1-[1-[4-fluoro-2-(1-hydroxyethyl)-5-methylphenyl]piperidin-4-yl]ethanol
PubChem CID106836488
Molecular FormulaC16H24FNO2
Molecular Weight281.37 g/mol
Exact Mass281.18
IUPAC Name1-[1-[4-fluoro-2-(1-hydroxyethyl)-5-methylphenyl]piperidin-4-yl]ethanol
SMILESCc1cc(N2CCC(C(C)O)CC2)c(C(C)O)cc1F
InChIInChI=1S/C16H24FNO2/c1-10-8-16(14(12(3)20)9-15(10)17)18-6-4-13(5-7-18)11(2)19/h8-9,11-13,19-20H,4-7H2,1-3H3
InChIKeyGHQBMAHOXVVFLP-UHFFFAOYSA-N
XLogP2.78
TPSA43.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.37
LogP ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[1-[4-fluoro-2-(1-hydroxyethyl)-5-methylphenyl]piperidin-4-yl]ethanol?
The IUPAC name of 1-[1-[4-fluoro-2-(1-hydroxyethyl)-5-methylphenyl]piperidin-4-yl]ethanol (CID 106836488) is 1-[1-[4-fluoro-2-(1-hydroxyethyl)-5-methylphenyl]piperidin-4-yl]ethanol.
What is the SMILES notation for 1-[1-[4-fluoro-2-(1-hydroxyethyl)-5-methylphenyl]piperidin-4-yl]ethanol?
The canonical SMILES for 1-[1-[4-fluoro-2-(1-hydroxyethyl)-5-methylphenyl]piperidin-4-yl]ethanol is Cc1cc(N2CCC(C(C)O)CC2)c(C(C)O)cc1F.
What is the InChIKey of 1-[1-[4-fluoro-2-(1-hydroxyethyl)-5-methylphenyl]piperidin-4-yl]ethanol?
The InChIKey is GHQBMAHOXVVFLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24FNO2/c1-10-8-16(14(12(3)20)9-15(10)17)18-6-4-13(5-7-18)11(2)19/h8-9,11-13,19-20H,4-7H2,1-3H3.
What are the key properties of 1-[1-[4-fluoro-2-(1-hydroxyethyl)-5-methylphenyl]piperidin-4-yl]ethanol?
1-[1-[4-fluoro-2-(1-hydroxyethyl)-5-methylphenyl]piperidin-4-yl]ethanol has a molecular weight of 281.37 g/mol, XLogP of 2.78, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[4-fluoro-2-(1-hydroxyethyl)-5-methylphenyl]piperidin-4-yl]ethanol is sourced from PubChem (CID 106836488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).