Basic information
- CAS
139290-69-0- Standard SMILES
COc1cccc(C(O)C2CCN(CCc3ccc(F)cc3)CC2)c1OC- InChIKey
HXTGXYRHXAGCFP-UHFFFAOYSA-N- Molecular formula
- C22H28FNO3
- Average molar mass
- 373.5 g/mol
- Monoisotopic mass
- 373.20532198
Names & identifiers
- Preferred name
- (2,3-Dimethoxyphenyl)-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]methanol
- IUPAC
- (2,3-dimethoxyphenyl)-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]methanol
- English name
- (+/-)-alpha-(2,3-Dimethoxy-phenyl)-1-[2-(4-fluorophenyl)ethyl]-4-piperidine-methanol
- Molecular formula
- C22H28FNO3
- Molecular weight
- 373.46
Names & synonyms
139290-69-0MDL 100151(2,3-dimethoxyphenyl)-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]methanolC22H28FNO3alpha-(2,3-dimethoxyphenyl)-1-[2-(4-fluorophenyl)ethyl]-4-piperidinemethanolHXTGXYRHXAGCFP-UHFFFAOYSA-N(+/-)-ALPHA-(2,3-DIMETHOXY-PHENYL)-1-[2-(4-FLUOROPHENYL)ETHYL]-4-PIPERIDINE-METHANOLSCHEMBL340674CHEMBL257283SCHEMBL13701277Volinanserin (MDL100907)?DTXSID40861354
Show more names
rac-MDL100907(2,3-Dimethoxyphenyl)(1-(4-fluorophenethyl)piperidin-4-yl)methanol4-Piperidinemethanol, (2,3-dimethoxyphenyl)-1-[2-(4-fluoropenyl)ethyl]4-Piperidinemethanol, α-(2,3-dimethoxyphenyl)-1-[2-(4-fluorophenyl)ethyl]-4-PiperidineMethanol, a-(2,3-diMethoxyphenyl)-1-[2-(4-fluorophenyl)ethyl]-4-Piperidinemethanol, (-(2,3-dimethoxyphenyl)-1-[2-(4-fluorophenyl)ethyl]-(-(-(2,3-Dimethoxyphenyl)-1-[2-(4-fluorophenyl)ethyl]-4-piperidine-methanol4-PIPERIDINEMETHANOL, ALPHA-(2,3-DIMETHOXYPHENYL)-1-[2-(4-FLUOROPHENYL)ETHYL]-(/-)-ALPHA-(2,3-DIMETHOXY-PHENYL)-1-2-(4-FLUOROPHENYL)ETHYL-4-PIPERIDINE-METHANOL
(2,3-Dimethoxy-phenyl)-{1-[2-(4-fluoro-phenyl)-ethyl]-piperidin-4-yl}-methanol(S)-(2,3-dimethoxyphenyl){1-[2-(4-fluorophenyl)ethyl]-4-piperidinyl}methanolBDBM50232153PDSP1_001496PDSP2_001480(2,3-dimethoxyphenyl)-[1-[2-(4-fluorophenyl)ethyl]-4-piperidyl]methanol(2,3-dimethoxyphenyl){1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl}methanolPB23201
Database identifiers
- CAS
139290-69-0- PubChem CID
- 60858
- DTXSID
DTXSID40861354- EC Number
- 604-125-7
- Nikkaji
- J1.194.541D
Properties
Computed structural properties
- XLogP
- 3.9
- Topological polar surface area
- 41.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 7
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 422
Experimental & physicochemical properties
LogP3.8
Physicochemical properties
- Boiling point
- 499.4 · 499.4±45.0 °C(Predicted)
- Density
- 1.15 · 1.150±0.06 g/cm3(Predicted)
- pka
- 13.93 · 13.93±0.20(Predicted)
Chemistry & industry
Suppliers11 total
Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]
扬州思域化工有限公司0514-87325867 · [email protected]
BOC Sciences1-631-485-4226; 16314854226 · [email protected]
天津诺康医药科技有限公司022-23989838 13810451150 · [email protected]
合肥恩立医药科技有限公司0551-66399836 18955197623 · [email protected]
扬州瑞宏生物科技有限公司15380367604; 15380367604 · [email protected]
郑州九亿时光新材料有限公司+86-15225627621 +86-13213167925 · [email protected]
苏州美石生物科技有限公司1173954148q · [email protected]
上海一飞生物科技有限公司021-65675885 18964387627 · [email protected]
天津凯利奇生物科技有限公司15076683720 · [email protected]
上海博拓生物科技有限公司16621358918 · [email protected]
Related reactions
44 records
Compound notes
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