2-[(3-fluoro-4-hydroxyphenyl)methylamino]-1-piperidin-1-ylethanone

C14H19FN2O2 — CID 107685980

IUPAC2-[(3-fluoro-4-hydroxyphenyl)methylamino]-1-piperidin-1-ylethanone
SMILESO=C(CNCc1ccc(O)c(F)c1)N1CCCCC1
InChIInChI=1S/C14H19FN2O2/c15-12-8-11(4-5-13(12)18)9-16-10-14(19)17-6-2-1-3-7-17/h4-5,8,16,18H,1-3,6-7,9-10H2
InChIKeyZSKFUKREAWYYEC-UHFFFAOYSA-N
MW266.32 g/mol
LogP1.63
Rot. Bonds4

About 2-[(3-fluoro-4-hydroxyphenyl)methylamino]-1-piperidin-1-ylethanone

2-[(3-fluoro-4-hydroxyphenyl)methylamino]-1-piperidin-1-ylethanone (PubChem CID 107685980) has the molecular formula C14H19FN2O2 and a molecular weight of 266.32 g/mol. Its IUPAC name is 2-[(3-fluoro-4-hydroxyphenyl)methylamino]-1-piperidin-1-ylethanone.

Molecular Properties

Compound Name2-[(3-fluoro-4-hydroxyphenyl)methylamino]-1-piperidin-1-ylethanone
PubChem CID107685980
Molecular FormulaC14H19FN2O2
Molecular Weight266.32 g/mol
Exact Mass266.14
IUPAC Name2-[(3-fluoro-4-hydroxyphenyl)methylamino]-1-piperidin-1-ylethanone
SMILESO=C(CNCc1ccc(O)c(F)c1)N1CCCCC1
InChIInChI=1S/C14H19FN2O2/c15-12-8-11(4-5-13(12)18)9-16-10-14(19)17-6-2-1-3-7-17/h4-5,8,16,18H,1-3,6-7,9-10H2
InChIKeyZSKFUKREAWYYEC-UHFFFAOYSA-N
XLogP1.63
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.32
LogP ≤ 51.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-[(3-fluoro-4-hydroxyphenyl)methylamino]-1-piperidin-1-ylethanone 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-pyrrolidin-1-yl-2-[(3,4,5-trifluorophenyl)methylamino]ethanone
CID 112689137
2-fluoro-5-[[(2-oxo-2-piperidin-1-ylethyl)amino]methyl]benzonitrile
CID 107880413
2-[(3,4-dibromophenyl)methylamino]-1-pyrrolidin-1-ylethanone
CID 113255289
1-(azepan-1-yl)-2-[[3-(hydroxymethyl)phenyl]methylamino]ethanone
CID 107230604
2-[(4-bromo-3-chlorophenyl)methylamino]-1-pyrrolidin-1-ylethanone
CID 103581539
1-(azepan-1-yl)-2-[(4-methoxyphenyl)methylamino]ethanone
CID 28575460
2-[(4-methylsulfonylphenyl)methylamino]-1-piperidin-1-ylethanone
CID 61066727
1-(azepan-1-yl)-2-(thiophen-3-ylmethylamino)ethanone
CID 60975399
2-[(6-hydroxy-1,3-benzodioxol-5-yl)methylamino]-1-piperidin-1-ylethanone
CID 115602999
4-fluoro-3-[[(2-oxo-2-pyrrolidin-1-ylethyl)amino]methyl]benzoic acid
CID 107453251
2-[(3-bromo-4-methoxyphenyl)methylamino]-1-pyrrolidin-1-ylethanone
CID 112684699
N,N-diethyl-2-[(3-fluoro-4-hydroxyphenyl)methylamino]acetamide
CID 107685979

Frequently Asked Questions

What is the IUPAC name of 2-[(3-fluoro-4-hydroxyphenyl)methylamino]-1-piperidin-1-ylethanone?
The IUPAC name of 2-[(3-fluoro-4-hydroxyphenyl)methylamino]-1-piperidin-1-ylethanone (CID 107685980) is 2-[(3-fluoro-4-hydroxyphenyl)methylamino]-1-piperidin-1-ylethanone.
What is the SMILES notation for 2-[(3-fluoro-4-hydroxyphenyl)methylamino]-1-piperidin-1-ylethanone?
The canonical SMILES for 2-[(3-fluoro-4-hydroxyphenyl)methylamino]-1-piperidin-1-ylethanone is O=C(CNCc1ccc(O)c(F)c1)N1CCCCC1.
What is the InChIKey of 2-[(3-fluoro-4-hydroxyphenyl)methylamino]-1-piperidin-1-ylethanone?
The InChIKey is ZSKFUKREAWYYEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19FN2O2/c15-12-8-11(4-5-13(12)18)9-16-10-14(19)17-6-2-1-3-7-17/h4-5,8,16,18H,1-3,6-7,9-10H2.
What are the key properties of 2-[(3-fluoro-4-hydroxyphenyl)methylamino]-1-piperidin-1-ylethanone?
2-[(3-fluoro-4-hydroxyphenyl)methylamino]-1-piperidin-1-ylethanone has a molecular weight of 266.32 g/mol, XLogP of 1.63, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-fluoro-4-hydroxyphenyl)methylamino]-1-piperidin-1-ylethanone is sourced from PubChem (CID 107685980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).