2-[(1-fluoropiperidin-4-yl)-hydroxymethyl]-6-methoxyphenol

C13H18FNO3 — CID 147693467

IUPAC2-[(1-fluoropiperidin-4-yl)-hydroxymethyl]-6-methoxyphenol
SMILESCOc1cccc(C(O)C2CCN(F)CC2)c1O
InChIInChI=1S/C13H18FNO3/c1-18-11-4-2-3-10(13(11)17)12(16)9-5-7-15(14)8-6-9/h2-4,9,12,16-17H,5-8H2,1H3
InChIKeyGRKNGVXZZWTXIO-UHFFFAOYSA-N
MW255.29 g/mol
LogP2.03
Rot. Bonds3

About 2-[(1-fluoropiperidin-4-yl)-hydroxymethyl]-6-methoxyphenol

2-[(1-fluoropiperidin-4-yl)-hydroxymethyl]-6-methoxyphenol (PubChem CID 147693467) has the molecular formula C13H18FNO3 and a molecular weight of 255.29 g/mol. Its IUPAC name is 2-[(1-fluoropiperidin-4-yl)-hydroxymethyl]-6-methoxyphenol.

Molecular Properties

Compound Name2-[(1-fluoropiperidin-4-yl)-hydroxymethyl]-6-methoxyphenol
PubChem CID147693467
Molecular FormulaC13H18FNO3
Molecular Weight255.29 g/mol
Exact Mass255.13
IUPAC Name2-[(1-fluoropiperidin-4-yl)-hydroxymethyl]-6-methoxyphenol
SMILESCOc1cccc(C(O)C2CCN(F)CC2)c1O
InChIInChI=1S/C13H18FNO3/c1-18-11-4-2-3-10(13(11)17)12(16)9-5-7-15(14)8-6-9/h2-4,9,12,16-17H,5-8H2,1H3
InChIKeyGRKNGVXZZWTXIO-UHFFFAOYSA-N
XLogP2.03
TPSA52.93 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.29
LogP ≤ 52.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-halo', 'substructure': 'N/A'}

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Related Compounds

cyclooctyl-(2-fluoro-3-methoxyphenyl)methanol
CID 82808519
2-(2-amino-1-hydroxyethyl)-6-methoxyphenol
CID 16768128
(R)-(2,3-dimethoxyphenyl)-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]methanol
CID 25242563
2-[(S)-amino(cyclohexyl)methyl]-6-methoxyphenol
CID 171231900
(2-amino-3-methoxyphenyl)-cyclohexylmethanol
CID 105496694
2-[(1S)-1-amino-2-cyclopropylethyl]-6-methoxyphenol;hydrochloride
CID 171231890
(2,3-dimethoxyphenyl)-[1-[2-(2-fluorophenyl)ethyl]piperidin-4-yl]methanol
CID 18786048
1-[4-[(2,3-dimethoxyphenyl)-hydroxymethyl]piperidin-1-yl]-2-(4-fluorophenyl)(111C)ethanone
CID 11760841
2-methoxy-6-[(R)-oxan-4-yl(piperazin-1-yl)methyl]phenol
CID 171294267
2-[[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]-hydroxymethyl]-6-methoxybenzaldehyde
CID 59915472
2-[hydroxy-(1-methylpiperidin-4-yl)methyl]phenol
CID 83855930
2-methoxy-6-[(1S)-1-piperazin-1-ylpropyl]phenol;dihydrochloride
CID 171281629

Frequently Asked Questions

What is the IUPAC name of 2-[(1-fluoropiperidin-4-yl)-hydroxymethyl]-6-methoxyphenol?
The IUPAC name of 2-[(1-fluoropiperidin-4-yl)-hydroxymethyl]-6-methoxyphenol (CID 147693467) is 2-[(1-fluoropiperidin-4-yl)-hydroxymethyl]-6-methoxyphenol.
What is the SMILES notation for 2-[(1-fluoropiperidin-4-yl)-hydroxymethyl]-6-methoxyphenol?
The canonical SMILES for 2-[(1-fluoropiperidin-4-yl)-hydroxymethyl]-6-methoxyphenol is COc1cccc(C(O)C2CCN(F)CC2)c1O.
What is the InChIKey of 2-[(1-fluoropiperidin-4-yl)-hydroxymethyl]-6-methoxyphenol?
The InChIKey is GRKNGVXZZWTXIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18FNO3/c1-18-11-4-2-3-10(13(11)17)12(16)9-5-7-15(14)8-6-9/h2-4,9,12,16-17H,5-8H2,1H3.
What are the key properties of 2-[(1-fluoropiperidin-4-yl)-hydroxymethyl]-6-methoxyphenol?
2-[(1-fluoropiperidin-4-yl)-hydroxymethyl]-6-methoxyphenol has a molecular weight of 255.29 g/mol, XLogP of 2.03, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-fluoropiperidin-4-yl)-hydroxymethyl]-6-methoxyphenol is sourced from PubChem (CID 147693467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).