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

C13H18FNO2 — CID 43133225

IUPAC[1-[2-fluoro-4-(hydroxymethyl)phenyl]piperidin-4-yl]methanol
SMILESOCc1ccc(N2CCC(CO)CC2)c(F)c1
InChIInChI=1S/C13H18FNO2/c14-12-7-11(9-17)1-2-13(12)15-5-3-10(8-16)4-6-15/h1-2,7,10,16-17H,3-6,8-9H2
InChIKeyYURWLGXTLANOGO-UHFFFAOYSA-N
MW239.29 g/mol
LogP1.53
Rot. Bonds3

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

[1-[2-fluoro-4-(hydroxymethyl)phenyl]piperidin-4-yl]methanol (PubChem CID 43133225) has the molecular formula C13H18FNO2 and a molecular weight of 239.29 g/mol. Its IUPAC name is [1-[2-fluoro-4-(hydroxymethyl)phenyl]piperidin-4-yl]methanol.

Molecular Properties

Compound Name[1-[2-fluoro-4-(hydroxymethyl)phenyl]piperidin-4-yl]methanol
PubChem CID43133225
Molecular FormulaC13H18FNO2
Molecular Weight239.29 g/mol
Exact Mass239.13
IUPAC Name[1-[2-fluoro-4-(hydroxymethyl)phenyl]piperidin-4-yl]methanol
SMILESOCc1ccc(N2CCC(CO)CC2)c(F)c1
InChIInChI=1S/C13H18FNO2/c14-12-7-11(9-17)1-2-13(12)15-5-3-10(8-16)4-6-15/h1-2,7,10,16-17H,3-6,8-9H2
InChIKeyYURWLGXTLANOGO-UHFFFAOYSA-N
XLogP1.53
TPSA43.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.29
LogP ≤ 51.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [1-[2-fluoro-4-(hydroxymethyl)phenyl]piperidin-4-yl]methanol?
The IUPAC name of [1-[2-fluoro-4-(hydroxymethyl)phenyl]piperidin-4-yl]methanol (CID 43133225) is [1-[2-fluoro-4-(hydroxymethyl)phenyl]piperidin-4-yl]methanol.
What is the SMILES notation for [1-[2-fluoro-4-(hydroxymethyl)phenyl]piperidin-4-yl]methanol?
The canonical SMILES for [1-[2-fluoro-4-(hydroxymethyl)phenyl]piperidin-4-yl]methanol is OCc1ccc(N2CCC(CO)CC2)c(F)c1.
What is the InChIKey of [1-[2-fluoro-4-(hydroxymethyl)phenyl]piperidin-4-yl]methanol?
The InChIKey is YURWLGXTLANOGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18FNO2/c14-12-7-11(9-17)1-2-13(12)15-5-3-10(8-16)4-6-15/h1-2,7,10,16-17H,3-6,8-9H2.
What are the key properties of [1-[2-fluoro-4-(hydroxymethyl)phenyl]piperidin-4-yl]methanol?
[1-[2-fluoro-4-(hydroxymethyl)phenyl]piperidin-4-yl]methanol has a molecular weight of 239.29 g/mol, XLogP of 1.53, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[2-fluoro-4-(hydroxymethyl)phenyl]piperidin-4-yl]methanol is sourced from PubChem (CID 43133225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).