Basic information
- CAS
243640-19-9- Standard SMILES
COc1cccc([C@H](O)C2CCNCC2)c1OC- InChIKey
LZRHDSQWBVFQMC-CYBMUJFWSA-N- Molecular formula
- C14H21NO3
- Average molar mass
- 251.32 g/mol
- Monoisotopic mass
- 251.15214353
Names & identifiers
- Preferred name
- (R)-(2,3-Dimethoxyphenyl)-4-piperidinemethanol
- IUPAC
- (R)-(2,3-dimethoxyphenyl)-piperidin-4-ylmethanol
- English name
- (R)-(2,3-Dimethoxyphenyl)-4-piperidinemethanol
- Molecular formula
- C14H21NO3
- Molecular weight
- 251.32
Names & synonyms
(R)-(2,3-Dimethoxyphenyl)-4-piperidinemethanol243640-19-9DTXSID10431982RefChem:210829DTXCID40382812(R)-(2,3-dimethoxyphenyl)-piperidin-4-ylmethanolSCHEMBL3048141(R)-(2,3-DIMETHOXYPHENYL)(PIPERIDIN-4-YL)METHANOLLZRHDSQWBVFQMC-CYBMUJFWSA-NAKOS030242164(R)-alpha-(2,3-dimethoxyphenyl)-4-piperidinemethanol4-Piperidinemethanol, α-(2,3-dimethoxyphenyl)-, (αR)-
Database identifiers
- CAS
243640-19-9- PubChem CID
- 9859798
- DTXSID
DTXSID10431982- Nikkaji
- J1.431.072J
Properties
Computed structural properties
- XLogP
- 1.3
- Topological polar surface area
- 50.7 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 243
Physicochemical properties
- Boiling point
- 404.8 · 404.8±45.0 °C(Predicted)
- Density
- 1.106 · 1.106±0.06 g/cm3(Predicted)
- solubility
- Chloroform, Dichloromethane, Methanol
- form
- Solid
- pka
- 13.93 · 13.93±0.20(Predicted)
- color
- White
Chemistry & industry
Applications
UsesAn intermediate in the preparation of serotonin 5-HT2a receptor antagonists
Suppliers6 total
安耐吉化学&3A（安徽泽升科技有限公司）021-58432009 400-005-6266 · [email protected]
上海陶素生化科技有限公司021-33632979 · [email protected]
凯试（上海）科技有限公司021-50135380 · [email protected]
苏州美石生物科技有限公司1173954148q · [email protected]
深圳聚合生化科技有限公司+86-400-002-6226 · [email protected]
北京百灵威科技有限公司18210857532 18210857532 · [email protected]
Related reactions
4 records
Compound notes
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