1-[4-fluoro-2-(hydroxymethyl)phenyl]piperidin-3-ol

C12H16FNO2 — CID 61434288

IUPAC1-[4-fluoro-2-(hydroxymethyl)phenyl]piperidin-3-ol
SMILESOCc1cc(F)ccc1N1CCCC(O)C1
InChIInChI=1S/C12H16FNO2/c13-10-3-4-12(9(6-10)8-15)14-5-1-2-11(16)7-14/h3-4,6,11,15-16H,1-2,5,7-8H2
InChIKeyHEDXAQIDLKOMCK-UHFFFAOYSA-N
MW225.26 g/mol
LogP1.28
Rot. Bonds2

About 1-[4-fluoro-2-(hydroxymethyl)phenyl]piperidin-3-ol

1-[4-fluoro-2-(hydroxymethyl)phenyl]piperidin-3-ol (PubChem CID 61434288) has the molecular formula C12H16FNO2 and a molecular weight of 225.26 g/mol. Its IUPAC name is 1-[4-fluoro-2-(hydroxymethyl)phenyl]piperidin-3-ol.

Molecular Properties

Compound Name1-[4-fluoro-2-(hydroxymethyl)phenyl]piperidin-3-ol
PubChem CID61434288
Molecular FormulaC12H16FNO2
Molecular Weight225.26 g/mol
Exact Mass225.12
IUPAC Name1-[4-fluoro-2-(hydroxymethyl)phenyl]piperidin-3-ol
SMILESOCc1cc(F)ccc1N1CCCC(O)C1
InChIInChI=1S/C12H16FNO2/c13-10-3-4-12(9(6-10)8-15)14-5-1-2-11(16)7-14/h3-4,6,11,15-16H,1-2,5,7-8H2
InChIKeyHEDXAQIDLKOMCK-UHFFFAOYSA-N
XLogP1.28
TPSA43.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.26
LogP ≤ 51.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[4-fluoro-2-(hydroxymethyl)phenyl]piperidin-3-ol?
The IUPAC name of 1-[4-fluoro-2-(hydroxymethyl)phenyl]piperidin-3-ol (CID 61434288) is 1-[4-fluoro-2-(hydroxymethyl)phenyl]piperidin-3-ol.
What is the SMILES notation for 1-[4-fluoro-2-(hydroxymethyl)phenyl]piperidin-3-ol?
The canonical SMILES for 1-[4-fluoro-2-(hydroxymethyl)phenyl]piperidin-3-ol is OCc1cc(F)ccc1N1CCCC(O)C1.
What is the InChIKey of 1-[4-fluoro-2-(hydroxymethyl)phenyl]piperidin-3-ol?
The InChIKey is HEDXAQIDLKOMCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16FNO2/c13-10-3-4-12(9(6-10)8-15)14-5-1-2-11(16)7-14/h3-4,6,11,15-16H,1-2,5,7-8H2.
What are the key properties of 1-[4-fluoro-2-(hydroxymethyl)phenyl]piperidin-3-ol?
1-[4-fluoro-2-(hydroxymethyl)phenyl]piperidin-3-ol has a molecular weight of 225.26 g/mol, XLogP of 1.28, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-fluoro-2-(hydroxymethyl)phenyl]piperidin-3-ol is sourced from PubChem (CID 61434288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).