3-[(5-fluoro-2-hydroxyphenyl)methylamino]piperidin-2-one

C12H15FN2O2 — CID 113356898

IUPAC3-[(5-fluoro-2-hydroxyphenyl)methylamino]piperidin-2-one
SMILESO=C1NCCCC1NCc1cc(F)ccc1O
InChIInChI=1S/C12H15FN2O2/c13-9-3-4-11(16)8(6-9)7-15-10-2-1-5-14-12(10)17/h3-4,6,10,15-16H,1-2,5,7H2,(H,14,17)
InChIKeyJLBFSUJPMJAUIJ-UHFFFAOYSA-N
MW238.26 g/mol
LogP0.90
Rot. Bonds3

About 3-[(5-fluoro-2-hydroxyphenyl)methylamino]piperidin-2-one

3-[(5-fluoro-2-hydroxyphenyl)methylamino]piperidin-2-one (PubChem CID 113356898) has the molecular formula C12H15FN2O2 and a molecular weight of 238.26 g/mol. Its IUPAC name is 3-[(5-fluoro-2-hydroxyphenyl)methylamino]piperidin-2-one.

Molecular Properties

Compound Name3-[(5-fluoro-2-hydroxyphenyl)methylamino]piperidin-2-one
PubChem CID113356898
Molecular FormulaC12H15FN2O2
Molecular Weight238.26 g/mol
Exact Mass238.11
IUPAC Name3-[(5-fluoro-2-hydroxyphenyl)methylamino]piperidin-2-one
SMILESO=C1NCCCC1NCc1cc(F)ccc1O
InChIInChI=1S/C12H15FN2O2/c13-9-3-4-11(16)8(6-9)7-15-10-2-1-5-14-12(10)17/h3-4,6,10,15-16H,1-2,5,7H2,(H,14,17)
InChIKeyJLBFSUJPMJAUIJ-UHFFFAOYSA-N
XLogP0.90
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.26
LogP ≤ 50.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-[[4-fluoro-2-(trifluoromethyl)phenyl]methylamino]azepan-2-one
CID 112732481
3-[(3,5-difluorophenyl)methylamino]azepan-2-one
CID 103613609
3-[(2-fluoro-3-methoxyphenyl)methylamino]piperidin-2-one
CID 104791742
3-[(3,5-difluoro-4-hydroxyphenyl)methylamino]azepan-2-one
CID 79831658
4-fluoro-2-[(piperidin-4-ylamino)methyl]phenol
CID 118140415
2-[(cyclooctylamino)methyl]-4-fluorophenol
CID 103947924
3-[(5-bromo-2-fluorophenyl)methylamino]azepan-2-one;hydrochloride
CID 47185904
3-[(4-bromo-2-fluorophenyl)methylamino]azepan-2-one
CID 43688042
3-[(2-ethylphenyl)methylamino]piperidin-2-one
CID 62392646
3-[(2,5-dimethoxyphenyl)methylamino]piperidin-2-one
CID 55033823
3-[(3-chloro-4-fluorophenyl)methylamino]azepan-2-one
CID 55086968
3-[(2-aminophenyl)methylamino]piperidin-2-one
CID 66417485

Frequently Asked Questions

What is the IUPAC name of 3-[(5-fluoro-2-hydroxyphenyl)methylamino]piperidin-2-one?
The IUPAC name of 3-[(5-fluoro-2-hydroxyphenyl)methylamino]piperidin-2-one (CID 113356898) is 3-[(5-fluoro-2-hydroxyphenyl)methylamino]piperidin-2-one.
What is the SMILES notation for 3-[(5-fluoro-2-hydroxyphenyl)methylamino]piperidin-2-one?
The canonical SMILES for 3-[(5-fluoro-2-hydroxyphenyl)methylamino]piperidin-2-one is O=C1NCCCC1NCc1cc(F)ccc1O.
What is the InChIKey of 3-[(5-fluoro-2-hydroxyphenyl)methylamino]piperidin-2-one?
The InChIKey is JLBFSUJPMJAUIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15FN2O2/c13-9-3-4-11(16)8(6-9)7-15-10-2-1-5-14-12(10)17/h3-4,6,10,15-16H,1-2,5,7H2,(H,14,17).
What are the key properties of 3-[(5-fluoro-2-hydroxyphenyl)methylamino]piperidin-2-one?
3-[(5-fluoro-2-hydroxyphenyl)methylamino]piperidin-2-one has a molecular weight of 238.26 g/mol, XLogP of 0.90, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-fluoro-2-hydroxyphenyl)methylamino]piperidin-2-one is sourced from PubChem (CID 113356898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).