1-[3-[(4-aminopiperidin-1-yl)methyl]-5-fluoro-2-hydroxyphenyl]ethanone

C14H19FN2O2 — CID 62030724

IUPAC1-[3-[(4-aminopiperidin-1-yl)methyl]-5-fluoro-2-hydroxyphenyl]ethanone
SMILESCC(=O)c1cc(F)cc(CN2CCC(N)CC2)c1O
InChIInChI=1S/C14H19FN2O2/c1-9(18)13-7-11(15)6-10(14(13)19)8-17-4-2-12(16)3-5-17/h6-7,12,19H,2-5,8,16H2,1H3
InChIKeyXMIBBHDCGVZHJX-UHFFFAOYSA-N
MW266.32 g/mol
LogP1.66
Rot. Bonds3

About 1-[3-[(4-aminopiperidin-1-yl)methyl]-5-fluoro-2-hydroxyphenyl]ethanone

1-[3-[(4-aminopiperidin-1-yl)methyl]-5-fluoro-2-hydroxyphenyl]ethanone (PubChem CID 62030724) has the molecular formula C14H19FN2O2 and a molecular weight of 266.32 g/mol. Its IUPAC name is 1-[3-[(4-aminopiperidin-1-yl)methyl]-5-fluoro-2-hydroxyphenyl]ethanone.

Molecular Properties

Compound Name1-[3-[(4-aminopiperidin-1-yl)methyl]-5-fluoro-2-hydroxyphenyl]ethanone
PubChem CID62030724
Molecular FormulaC14H19FN2O2
Molecular Weight266.32 g/mol
Exact Mass266.14
IUPAC Name1-[3-[(4-aminopiperidin-1-yl)methyl]-5-fluoro-2-hydroxyphenyl]ethanone
SMILESCC(=O)c1cc(F)cc(CN2CCC(N)CC2)c1O
InChIInChI=1S/C14H19FN2O2/c1-9(18)13-7-11(15)6-10(14(13)19)8-17-4-2-12(16)3-5-17/h6-7,12,19H,2-5,8,16H2,1H3
InChIKeyXMIBBHDCGVZHJX-UHFFFAOYSA-N
XLogP1.66
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.32
LogP ≤ 51.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 1-[3-[(4-aminopiperidin-1-yl)methyl]-5-fluoro-2-hydroxyphenyl]ethanone 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-[3-[[4-(dimethylamino)piperidin-1-yl]methyl]-5-fluoro-2-hydroxyphenyl]ethanone
CID 43793182
1-[5-fluoro-2-hydroxy-3-(piperazin-1-ylmethyl)phenyl]ethanone
CID 55028009
1-[5-fluoro-3-[[4-(2-fluorophenyl)piperazin-1-yl]methyl]-2-hydroxyphenyl]ethanone
CID 78893807
1-[5-fluoro-2-hydroxy-3-[(2-methyl-1,4-oxazepan-4-yl)methyl]phenyl]ethanone
CID 62974337
1-[5-fluoro-2-hydroxy-3-[[2-(1-hydroxypropyl)piperidin-1-yl]methyl]phenyl]ethanone
CID 111858361
1-[5-chloro-2-hydroxy-3-(piperidin-1-ylmethyl)phenyl]ethanone
CID 43792814
2-[(4-aminopiperidin-1-yl)methyl]-4,6-dichlorophenol
CID 29009288
1-[5-fluoro-2-hydroxy-3-(methylsulfonylmethyl)phenyl]ethanone
CID 62785315
1-[3-[(5-ethyl-2-methylmorpholin-4-yl)methyl]-5-fluoro-2-hydroxyphenyl]ethanone
CID 61424395
1-[5-fluoro-2-hydroxy-3-[[methyl(oxan-4-yl)amino]methyl]phenyl]ethanone
CID 43793203
1-[5-chloro-3-[(3,4-dihydroxypyrrolidin-1-yl)methyl]-2-hydroxyphenyl]ethanone
CID 106670333
2-(4-aminopiperidin-1-yl)-1-(2,5-difluorophenyl)ethanone
CID 62029769

Frequently Asked Questions

What is the IUPAC name of 1-[3-[(4-aminopiperidin-1-yl)methyl]-5-fluoro-2-hydroxyphenyl]ethanone?
The IUPAC name of 1-[3-[(4-aminopiperidin-1-yl)methyl]-5-fluoro-2-hydroxyphenyl]ethanone (CID 62030724) is 1-[3-[(4-aminopiperidin-1-yl)methyl]-5-fluoro-2-hydroxyphenyl]ethanone.
What is the SMILES notation for 1-[3-[(4-aminopiperidin-1-yl)methyl]-5-fluoro-2-hydroxyphenyl]ethanone?
The canonical SMILES for 1-[3-[(4-aminopiperidin-1-yl)methyl]-5-fluoro-2-hydroxyphenyl]ethanone is CC(=O)c1cc(F)cc(CN2CCC(N)CC2)c1O.
What is the InChIKey of 1-[3-[(4-aminopiperidin-1-yl)methyl]-5-fluoro-2-hydroxyphenyl]ethanone?
The InChIKey is XMIBBHDCGVZHJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19FN2O2/c1-9(18)13-7-11(15)6-10(14(13)19)8-17-4-2-12(16)3-5-17/h6-7,12,19H,2-5,8,16H2,1H3.
What are the key properties of 1-[3-[(4-aminopiperidin-1-yl)methyl]-5-fluoro-2-hydroxyphenyl]ethanone?
1-[3-[(4-aminopiperidin-1-yl)methyl]-5-fluoro-2-hydroxyphenyl]ethanone has a molecular weight of 266.32 g/mol, XLogP of 1.66, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[(4-aminopiperidin-1-yl)methyl]-5-fluoro-2-hydroxyphenyl]ethanone is sourced from PubChem (CID 62030724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).