4-fluoro-2-[[3-(methylamino)piperidin-1-yl]methyl]phenol

C13H19FN2O — CID 104869408

IUPAC4-fluoro-2-[[3-(methylamino)piperidin-1-yl]methyl]phenol
SMILESCNC1CCCN(Cc2cc(F)ccc2O)C1
InChIInChI=1S/C13H19FN2O/c1-15-12-3-2-6-16(9-12)8-10-7-11(14)4-5-13(10)17/h4-5,7,12,15,17H,2-3,6,8-9H2,1H3
InChIKeyZBDLGTPZNMLHKF-UHFFFAOYSA-N
MW238.31 g/mol
LogP1.72
Rot. Bonds3

About 4-fluoro-2-[[3-(methylamino)piperidin-1-yl]methyl]phenol

4-fluoro-2-[[3-(methylamino)piperidin-1-yl]methyl]phenol (PubChem CID 104869408) has the molecular formula C13H19FN2O and a molecular weight of 238.31 g/mol. Its IUPAC name is 4-fluoro-2-[[3-(methylamino)piperidin-1-yl]methyl]phenol.

Molecular Properties

Compound Name4-fluoro-2-[[3-(methylamino)piperidin-1-yl]methyl]phenol
PubChem CID104869408
Molecular FormulaC13H19FN2O
Molecular Weight238.31 g/mol
Exact Mass238.15
IUPAC Name4-fluoro-2-[[3-(methylamino)piperidin-1-yl]methyl]phenol
SMILESCNC1CCCN(Cc2cc(F)ccc2O)C1
InChIInChI=1S/C13H19FN2O/c1-15-12-3-2-6-16(9-12)8-10-7-11(14)4-5-13(10)17/h4-5,7,12,15,17H,2-3,6,8-9H2,1H3
InChIKeyZBDLGTPZNMLHKF-UHFFFAOYSA-N
XLogP1.72
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.31
LogP ≤ 51.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Related Compounds

1-[(2,5-difluorophenyl)methyl]-N-methylpiperidin-3-amine;hydrochloride
CID 119918436
1-[(2-bromo-5-fluorophenyl)methyl]-N-methylpiperidin-3-amine
CID 55086252
4-fluoro-2-[(4-propan-2-ylazepan-1-yl)methyl]phenol
CID 107701911
2-[[(3R)-3-(4-fluoroanilino)piperidin-1-yl]methyl]-4-methoxyphenol
CID 25448122
4-fluoro-2-[[4-[(5-fluoro-2-hydroxyphenyl)methyl]-1,4-diazepan-1-yl]methyl]phenol
CID 102417416
4-fluoro-2-[[3-[(5-fluoro-2-hydroxyphenyl)methyl]-1,3-diazinan-1-yl]methyl]phenol
CID 71535785
4-fluoro-2-[(3-propoxypiperidin-1-yl)methyl]phenol
CID 103947572
1-[(2-bromo-5-fluorophenyl)methyl]-N-methylpyrrolidin-3-amine;hydrochloride
CID 119905765
4-fluoro-2-[(2-methylmorpholin-4-yl)methyl]phenol
CID 103947504
1-[(2-chlorothiophen-3-yl)methyl]-N-methylpiperidin-3-amine;hydrochloride
CID 120837875
2-[(2,6-dimethylmorpholin-4-yl)methyl]-4-fluorophenol
CID 113356760
4-fluoro-2-[(3,4,5-trimethylpiperazin-1-yl)methyl]phenol
CID 104872388

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-2-[[3-(methylamino)piperidin-1-yl]methyl]phenol?
The IUPAC name of 4-fluoro-2-[[3-(methylamino)piperidin-1-yl]methyl]phenol (CID 104869408) is 4-fluoro-2-[[3-(methylamino)piperidin-1-yl]methyl]phenol.
What is the SMILES notation for 4-fluoro-2-[[3-(methylamino)piperidin-1-yl]methyl]phenol?
The canonical SMILES for 4-fluoro-2-[[3-(methylamino)piperidin-1-yl]methyl]phenol is CNC1CCCN(Cc2cc(F)ccc2O)C1.
What is the InChIKey of 4-fluoro-2-[[3-(methylamino)piperidin-1-yl]methyl]phenol?
The InChIKey is ZBDLGTPZNMLHKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19FN2O/c1-15-12-3-2-6-16(9-12)8-10-7-11(14)4-5-13(10)17/h4-5,7,12,15,17H,2-3,6,8-9H2,1H3.
What are the key properties of 4-fluoro-2-[[3-(methylamino)piperidin-1-yl]methyl]phenol?
4-fluoro-2-[[3-(methylamino)piperidin-1-yl]methyl]phenol has a molecular weight of 238.31 g/mol, XLogP of 1.72, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-2-[[3-(methylamino)piperidin-1-yl]methyl]phenol is sourced from PubChem (CID 104869408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).