(2,3-Dimethoxyphenyl)-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]methanol

HCID 60858

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

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]

Related reactions

44 records

Compound notes

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