Basic information
- CAS
2377608-45-0- Standard SMILES
CC1(C)OB(c2ccc(CN3CCCCC3)c(F)c2)OC1(C)C- InChIKey
WXUCVCPBEXXWQA-UHFFFAOYSA-N- Molecular formula
- C18H27BFNO2
- Average molar mass
- 319.2 g/mol
- Monoisotopic mass
- 319.2118874
Names & identifiers
- Preferred name
- 3-Fluoro-4-(piperidinomethyl)phenylboronic acid pinacol ester
- IUPAC
- 1-[[2-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methyl]piperidine
- English name
- 3-Fluoro-4-(piperidinomethyl)phenylboronic acid pinacol ester
- Molecular formula
- C18H27BFNO2
- Molecular weight
- 319.22
Names & synonyms
2377608-45-03-Fluoro-4-(piperidinomethyl)phenylboronic acid pinacol ester1-(2-Fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzyl)piperidine1-[[2-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methyl]piperidineSCHEMBL21644162MFCD27981305XH0869BS-33658CS-0176549Piperidine, 1-[[2-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methyl]-
Database identifiers
- CAS
2377608-45-0- PubChem CID
- 75486173
Properties
Computed structural properties
- Topological polar surface area
- 21.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 396
Physicochemical properties
- Boiling point
- 395.1 · 395.1±37.0 °C(Predicted)
- Density
- 1.08 · 1.08±0.1 g/cm3(Predicted)
- pka
- 8.63 · 8.63±0.10(Predicted)
Chemistry & industry
Suppliers8 total
安徽合诺生物科技有限公司18455579438
Zhejiang J&C Biological Technology Co.,Limited+1-2135480471 · [email protected]
湖州清硫硅生物科技有限公司13626726938 · [email protected]
湖州澄博生物科技有限公司13626726938
上海瀚鸿科技股份有限公司021-54306202 18917919676 · [email protected]
Jilin Chinese Academy of Sciences-yanshen Technology18143011203 · [email protected]
南京世洲生物科技有限公司025-85560043 13675144456 · [email protected]
珠海奥博凯生物医药技术有限公司400-0628126 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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