2-[1-[4-fluoro-2-(hydroxymethyl)phenyl]piperidin-4-yl]oxyethanol

C14H20FNO3 — CID 82691559

IUPAC2-[1-[4-fluoro-2-(hydroxymethyl)phenyl]piperidin-4-yl]oxyethanol
SMILESOCCOC1CCN(c2ccc(F)cc2CO)CC1
InChIInChI=1S/C14H20FNO3/c15-12-1-2-14(11(9-12)10-18)16-5-3-13(4-6-16)19-8-7-17/h1-2,9,13,17-18H,3-8,10H2
InChIKeyPYUXDCUTINGYFQ-UHFFFAOYSA-N
MW269.32 g/mol
LogP1.30
Rot. Bonds5

About 2-[1-[4-fluoro-2-(hydroxymethyl)phenyl]piperidin-4-yl]oxyethanol

2-[1-[4-fluoro-2-(hydroxymethyl)phenyl]piperidin-4-yl]oxyethanol (PubChem CID 82691559) has the molecular formula C14H20FNO3 and a molecular weight of 269.32 g/mol. Its IUPAC name is 2-[1-[4-fluoro-2-(hydroxymethyl)phenyl]piperidin-4-yl]oxyethanol.

Molecular Properties

Compound Name2-[1-[4-fluoro-2-(hydroxymethyl)phenyl]piperidin-4-yl]oxyethanol
PubChem CID82691559
Molecular FormulaC14H20FNO3
Molecular Weight269.32 g/mol
Exact Mass269.14
IUPAC Name2-[1-[4-fluoro-2-(hydroxymethyl)phenyl]piperidin-4-yl]oxyethanol
SMILESOCCOC1CCN(c2ccc(F)cc2CO)CC1
InChIInChI=1S/C14H20FNO3/c15-12-1-2-14(11(9-12)10-18)16-5-3-13(4-6-16)19-8-7-17/h1-2,9,13,17-18H,3-8,10H2
InChIKeyPYUXDCUTINGYFQ-UHFFFAOYSA-N
XLogP1.30
TPSA52.93 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.32
LogP ≤ 51.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[1-[2-(hydroxymethyl)-4-nitrophenyl]piperidin-4-yl]oxyethanol
CID 82016720
[2-(4-ethoxypiperidin-1-yl)-5-fluorophenyl]methanamine
CID 61216671
2-[1-[4-[(1R)-1-aminoethyl]-2-fluorophenyl]piperidin-4-yl]oxyethanol
CID 82691104
3-fluoro-4-[4-(2-hydroxyethoxy)piperidin-1-yl]benzenesulfonamide
CID 82685589
2-[1-(2-amino-3-fluorophenyl)piperidin-4-yl]oxyethanol
CID 82695538
2-[1-[4-amino-2-(trifluoromethyl)phenyl]piperidin-4-yl]oxyethanol
CID 82011418
1-[4-fluoro-2-(hydroxymethyl)phenyl]piperidin-3-ol
CID 61434288
1-[2-(4-ethoxypiperidin-1-yl)-5-fluorophenyl]propan-2-amine
CID 63794163
[5-fluoro-2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)phenyl]methanol
CID 66393104
2-[1-(2-amino-4,5-dimethoxyphenyl)piperidin-4-yl]oxyethanol
CID 83005053
[5-fluoro-2-(4-propylpiperazin-1-yl)phenyl]methanol
CID 43313182
5-bromo-2-[4-(2-hydroxyethoxy)piperidin-1-yl]benzenecarbothioamide
CID 114891992

Frequently Asked Questions

What is the IUPAC name of 2-[1-[4-fluoro-2-(hydroxymethyl)phenyl]piperidin-4-yl]oxyethanol?
The IUPAC name of 2-[1-[4-fluoro-2-(hydroxymethyl)phenyl]piperidin-4-yl]oxyethanol (CID 82691559) is 2-[1-[4-fluoro-2-(hydroxymethyl)phenyl]piperidin-4-yl]oxyethanol.
What is the SMILES notation for 2-[1-[4-fluoro-2-(hydroxymethyl)phenyl]piperidin-4-yl]oxyethanol?
The canonical SMILES for 2-[1-[4-fluoro-2-(hydroxymethyl)phenyl]piperidin-4-yl]oxyethanol is OCCOC1CCN(c2ccc(F)cc2CO)CC1.
What is the InChIKey of 2-[1-[4-fluoro-2-(hydroxymethyl)phenyl]piperidin-4-yl]oxyethanol?
The InChIKey is PYUXDCUTINGYFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20FNO3/c15-12-1-2-14(11(9-12)10-18)16-5-3-13(4-6-16)19-8-7-17/h1-2,9,13,17-18H,3-8,10H2.
What are the key properties of 2-[1-[4-fluoro-2-(hydroxymethyl)phenyl]piperidin-4-yl]oxyethanol?
2-[1-[4-fluoro-2-(hydroxymethyl)phenyl]piperidin-4-yl]oxyethanol has a molecular weight of 269.32 g/mol, XLogP of 1.30, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[4-fluoro-2-(hydroxymethyl)phenyl]piperidin-4-yl]oxyethanol is sourced from PubChem (CID 82691559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).