[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'}

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[1-[2-fluoro-4-(hydroxymethyl)phenyl]pyrrolidin-3-yl]methanol
CID 112626287
[1-(2-fluoro-4-iodophenyl)piperidin-4-yl]methanol
CID 155172642
[1-(4-amino-2-fluorophenyl)piperidin-4-yl]methanol
CID 43133145
[4-(4-cyclopentylpiperazin-1-yl)-3-fluorophenyl]methanol
CID 62369446
[4-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl)-3-fluorophenyl]methanol
CID 43620551
5-(hydroxymethyl)-2-[4-(hydroxymethyl)piperidin-1-yl]benzamide
CID 68507262
[1-[4-[(1S)-1-aminoethyl]-2-fluorophenyl]piperidin-4-yl]methanol
CID 78936152
2-[4-[2-fluoro-4-(hydroxymethyl)phenyl]piperazin-1-yl]ethanol
CID 43592205
[4-(3-ethylpiperidin-1-yl)-3-fluorophenyl]methanol
CID 43584730
[1-[2-fluoro-4-[(propan-2-ylamino)methyl]phenyl]pyrrolidin-3-yl]methanol
CID 112626609
3-fluoro-4-[4-(hydroxymethyl)piperidin-1-yl]benzenecarboximidamide;hydrochloride
CID 82253493
[1-[2,6-difluoro-4-(hydroxymethyl)phenyl]pyrrolidin-3-yl]methanol
CID 112626308

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).