1-[1-[3-fluoro-5-(hydroxymethyl)phenyl]piperidin-4-yl]ethanol

C14H20FNO2 — CID 106836470

IUPAC1-[1-[3-fluoro-5-(hydroxymethyl)phenyl]piperidin-4-yl]ethanol
SMILESCC(O)C1CCN(c2cc(F)cc(CO)c2)CC1
InChIInChI=1S/C14H20FNO2/c1-10(18)12-2-4-16(5-3-12)14-7-11(9-17)6-13(15)8-14/h6-8,10,12,17-18H,2-5,9H2,1H3
InChIKeyZLWHRORVYVHWAH-UHFFFAOYSA-N
MW253.32 g/mol
LogP1.92
Rot. Bonds3

About 1-[1-[3-fluoro-5-(hydroxymethyl)phenyl]piperidin-4-yl]ethanol

1-[1-[3-fluoro-5-(hydroxymethyl)phenyl]piperidin-4-yl]ethanol (PubChem CID 106836470) has the molecular formula C14H20FNO2 and a molecular weight of 253.32 g/mol. Its IUPAC name is 1-[1-[3-fluoro-5-(hydroxymethyl)phenyl]piperidin-4-yl]ethanol.

Molecular Properties

Compound Name1-[1-[3-fluoro-5-(hydroxymethyl)phenyl]piperidin-4-yl]ethanol
PubChem CID106836470
Molecular FormulaC14H20FNO2
Molecular Weight253.32 g/mol
Exact Mass253.15
IUPAC Name1-[1-[3-fluoro-5-(hydroxymethyl)phenyl]piperidin-4-yl]ethanol
SMILESCC(O)C1CCN(c2cc(F)cc(CO)c2)CC1
InChIInChI=1S/C14H20FNO2/c1-10(18)12-2-4-16(5-3-12)14-7-11(9-17)6-13(15)8-14/h6-8,10,12,17-18H,2-5,9H2,1H3
InChIKeyZLWHRORVYVHWAH-UHFFFAOYSA-N
XLogP1.92
TPSA43.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.32
LogP ≤ 51.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

[3-(4,4-diethylpiperidin-1-yl)-5-fluorophenyl]methanol
CID 106529884
(3-fluoro-5-thiomorpholin-4-ylphenyl)methanol
CID 106529680
[3-fluoro-5-(4-methylsulfonylpiperazin-1-yl)phenyl]methanol
CID 106529878
1-[1-[(3-bromo-5-fluorophenyl)methyl]piperidin-4-yl]ethanol
CID 103728236
[3-fluoro-5-(3-morpholin-4-ylpyrrolidin-1-yl)phenyl]methanol
CID 106529890
1-[1-[3-(aminomethyl)phenyl]piperidin-4-yl]ethanol
CID 106835397
[3-fluoro-5-[4-(1,3-thiazol-2-yl)piperazin-1-yl]phenyl]methanol
CID 106529651
2-[3-(4-ethylpiperidin-1-yl)-5-fluorophenyl]ethanamine
CID 106532762
1-[1-(5-fluoropyrimidin-2-yl)piperidin-4-yl]ethanol
CID 103826127
1-(3-ethyl-5-fluorophenyl)piperazine
CID 84780261
1-(3,5-difluorophenyl)-N-ethylpiperidin-4-amine
CID 43315453
1-[3-(aminomethyl)-5-fluorophenyl]piperidine-4-carboxamide
CID 102813342

Frequently Asked Questions

What is the IUPAC name of 1-[1-[3-fluoro-5-(hydroxymethyl)phenyl]piperidin-4-yl]ethanol?
The IUPAC name of 1-[1-[3-fluoro-5-(hydroxymethyl)phenyl]piperidin-4-yl]ethanol (CID 106836470) is 1-[1-[3-fluoro-5-(hydroxymethyl)phenyl]piperidin-4-yl]ethanol.
What is the SMILES notation for 1-[1-[3-fluoro-5-(hydroxymethyl)phenyl]piperidin-4-yl]ethanol?
The canonical SMILES for 1-[1-[3-fluoro-5-(hydroxymethyl)phenyl]piperidin-4-yl]ethanol is CC(O)C1CCN(c2cc(F)cc(CO)c2)CC1.
What is the InChIKey of 1-[1-[3-fluoro-5-(hydroxymethyl)phenyl]piperidin-4-yl]ethanol?
The InChIKey is ZLWHRORVYVHWAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20FNO2/c1-10(18)12-2-4-16(5-3-12)14-7-11(9-17)6-13(15)8-14/h6-8,10,12,17-18H,2-5,9H2,1H3.
What are the key properties of 1-[1-[3-fluoro-5-(hydroxymethyl)phenyl]piperidin-4-yl]ethanol?
1-[1-[3-fluoro-5-(hydroxymethyl)phenyl]piperidin-4-yl]ethanol has a molecular weight of 253.32 g/mol, XLogP of 1.92, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[3-fluoro-5-(hydroxymethyl)phenyl]piperidin-4-yl]ethanol is sourced from PubChem (CID 106836470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).