[3-fluoro-5-[(2S)-2-methylpiperidine-1-carbonyl]phenyl]boronic acid

C13H17BFNO3 — CID 99738102

IUPAC[3-fluoro-5-[(2S)-2-methylpiperidine-1-carbonyl]phenyl]boronic acid
SMILESC[C@H]1CCCCN1C(=O)c1cc(F)cc(B(O)O)c1
InChIInChI=1S/C13H17BFNO3/c1-9-4-2-3-5-16(9)13(17)10-6-11(14(18)19)8-12(15)7-10/h6-9,18-19H,2-5H2,1H3/t9-/m0/s1
InChIKeyFOZKXTAGQOGLLH-VIFPVBQESA-N
MW265.09 g/mol
LogP0.52
Rot. Bonds2

About [3-fluoro-5-[(2S)-2-methylpiperidine-1-carbonyl]phenyl]boronic acid

[3-fluoro-5-[(2S)-2-methylpiperidine-1-carbonyl]phenyl]boronic acid (PubChem CID 99738102) has the molecular formula C13H17BFNO3 and a molecular weight of 265.09 g/mol. Its IUPAC name is [3-fluoro-5-[(2S)-2-methylpiperidine-1-carbonyl]phenyl]boronic acid.

Molecular Properties

Compound Name[3-fluoro-5-[(2S)-2-methylpiperidine-1-carbonyl]phenyl]boronic acid
PubChem CID99738102
Molecular FormulaC13H17BFNO3
Molecular Weight265.09 g/mol
Exact Mass265.13
IUPAC Name[3-fluoro-5-[(2S)-2-methylpiperidine-1-carbonyl]phenyl]boronic acid
SMILESC[C@H]1CCCCN1C(=O)c1cc(F)cc(B(O)O)c1
InChIInChI=1S/C13H17BFNO3/c1-9-4-2-3-5-16(9)13(17)10-6-11(14(18)19)8-12(15)7-10/h6-9,18-19H,2-5H2,1H3/t9-/m0/s1
InChIKeyFOZKXTAGQOGLLH-VIFPVBQESA-N
XLogP0.52
TPSA60.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.09
LogP ≤ 50.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze [3-fluoro-5-[(2S)-2-methylpiperidine-1-carbonyl]phenyl]boronic acid 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

(3-fluoro-5-nitrophenyl)-[(2R)-2-methylpyrrolidin-1-yl]methanone
CID 171822623
[(2S)-2-methylpiperidin-1-yl]-(3,4,5-trichlorophenyl)methanone
CID 94861975
(3-amino-5-fluoro-4-methylphenyl)-(2-methylpiperidin-1-yl)methanone
CID 60861512
[3,5-dichloro-4-[(2R)-2-methylpiperidine-1-carbonyl]phenyl]-[(2R)-2-methylpiperidin-1-yl]methanone
CID 94071084
[3-fluoro-5-[(2-methylpiperidin-1-yl)methyl]phenyl]boronic acid
CID 79710639
[3-(2-methylpiperidine-1-carbonyl)-5-nitrophenyl]-(2-methylpiperidin-1-yl)methanone
CID 5008991
(2,4-difluorophenyl)-[(2R)-2-methylpiperidin-1-yl]methanone
CID 2347956
[3,5-difluoro-4-(propylamino)phenyl]-(2-methylpiperidin-1-yl)methanone
CID 63187265
methyl 1-(3,5-difluorobenzoyl)piperidine-2-carboxylate
CID 115280018
(5-amino-3-pyridinyl)-(2-methylpiperidin-1-yl)methanone
CID 102568289
3-fluoro-2-methyl-5-(2-methylpiperidine-1-carbonyl)benzenesulfonyl chloride
CID 65368363
3-chloro-5-(2-methylpiperidine-1-carbonyl)benzenesulfonyl chloride
CID 65369073

Frequently Asked Questions

What is the IUPAC name of [3-fluoro-5-[(2S)-2-methylpiperidine-1-carbonyl]phenyl]boronic acid?
The IUPAC name of [3-fluoro-5-[(2S)-2-methylpiperidine-1-carbonyl]phenyl]boronic acid (CID 99738102) is [3-fluoro-5-[(2S)-2-methylpiperidine-1-carbonyl]phenyl]boronic acid.
What is the SMILES notation for [3-fluoro-5-[(2S)-2-methylpiperidine-1-carbonyl]phenyl]boronic acid?
The canonical SMILES for [3-fluoro-5-[(2S)-2-methylpiperidine-1-carbonyl]phenyl]boronic acid is C[C@H]1CCCCN1C(=O)c1cc(F)cc(B(O)O)c1.
What is the InChIKey of [3-fluoro-5-[(2S)-2-methylpiperidine-1-carbonyl]phenyl]boronic acid?
The InChIKey is FOZKXTAGQOGLLH-VIFPVBQESA-N. The full InChI is InChI=1S/C13H17BFNO3/c1-9-4-2-3-5-16(9)13(17)10-6-11(14(18)19)8-12(15)7-10/h6-9,18-19H,2-5H2,1H3/t9-/m0/s1.
What are the key properties of [3-fluoro-5-[(2S)-2-methylpiperidine-1-carbonyl]phenyl]boronic acid?
[3-fluoro-5-[(2S)-2-methylpiperidine-1-carbonyl]phenyl]boronic acid has a molecular weight of 265.09 g/mol, XLogP of 0.52, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-fluoro-5-[(2S)-2-methylpiperidine-1-carbonyl]phenyl]boronic acid is sourced from PubChem (CID 99738102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).