[3-fluoro-2-(4-methoxypiperidin-1-yl)phenyl]methanol

C13H18FNO2 — CID 114067404

IUPAC[3-fluoro-2-(4-methoxypiperidin-1-yl)phenyl]methanol
SMILESCOC1CCN(c2c(F)cccc2CO)CC1
InChIInChI=1S/C13H18FNO2/c1-17-11-5-7-15(8-6-11)13-10(9-16)3-2-4-12(13)14/h2-4,11,16H,5-9H2,1H3
InChIKeyKKCSGMPGWJGMTB-UHFFFAOYSA-N
MW239.29 g/mol
LogP1.93
Rot. Bonds3

About [3-fluoro-2-(4-methoxypiperidin-1-yl)phenyl]methanol

[3-fluoro-2-(4-methoxypiperidin-1-yl)phenyl]methanol (PubChem CID 114067404) has the molecular formula C13H18FNO2 and a molecular weight of 239.29 g/mol. Its IUPAC name is [3-fluoro-2-(4-methoxypiperidin-1-yl)phenyl]methanol.

Molecular Properties

Compound Name[3-fluoro-2-(4-methoxypiperidin-1-yl)phenyl]methanol
PubChem CID114067404
Molecular FormulaC13H18FNO2
Molecular Weight239.29 g/mol
Exact Mass239.13
IUPAC Name[3-fluoro-2-(4-methoxypiperidin-1-yl)phenyl]methanol
SMILESCOC1CCN(c2c(F)cccc2CO)CC1
InChIInChI=1S/C13H18FNO2/c1-17-11-5-7-15(8-6-11)13-10(9-16)3-2-4-12(13)14/h2-4,11,16H,5-9H2,1H3
InChIKeyKKCSGMPGWJGMTB-UHFFFAOYSA-N
XLogP1.93
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.29
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [3-fluoro-2-(4-methoxypiperidin-1-yl)phenyl]methanol?
The IUPAC name of [3-fluoro-2-(4-methoxypiperidin-1-yl)phenyl]methanol (CID 114067404) is [3-fluoro-2-(4-methoxypiperidin-1-yl)phenyl]methanol.
What is the SMILES notation for [3-fluoro-2-(4-methoxypiperidin-1-yl)phenyl]methanol?
The canonical SMILES for [3-fluoro-2-(4-methoxypiperidin-1-yl)phenyl]methanol is COC1CCN(c2c(F)cccc2CO)CC1.
What is the InChIKey of [3-fluoro-2-(4-methoxypiperidin-1-yl)phenyl]methanol?
The InChIKey is KKCSGMPGWJGMTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18FNO2/c1-17-11-5-7-15(8-6-11)13-10(9-16)3-2-4-12(13)14/h2-4,11,16H,5-9H2,1H3.
What are the key properties of [3-fluoro-2-(4-methoxypiperidin-1-yl)phenyl]methanol?
[3-fluoro-2-(4-methoxypiperidin-1-yl)phenyl]methanol has a molecular weight of 239.29 g/mol, XLogP of 1.93, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-fluoro-2-(4-methoxypiperidin-1-yl)phenyl]methanol is sourced from PubChem (CID 114067404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).