Basic information
- CAS
5409-66-5- Standard SMILES
CN1CCC(O)(c2ccccc2)C(C(=O)c2ccccc2)C1- InChIKey
TVRFABREAYQAQA-UHFFFAOYSA-N- Molecular formula
- C19H21NO2
- Average molar mass
- 295.4 g/mol
- Monoisotopic mass
- 295.15722891
Names & identifiers
- Preferred name
- 3-Benzoyl-4-hydroxy-1-methyl-4-phenylpiperidine
- IUPAC
- (4-hydroxy-1-methyl-4-phenylpiperidin-3-yl)-phenylmethanone
- English name
- (4-hydroxy-1-methyl-4-phenyl-3-piperidyl)-phenyl-methanone
- Molecular formula
- C19H21NO2
- Molecular weight
- 295.38
Names & synonyms
3-BENZOYL-4-HYDROXY-1-METHYL-4-PHENYLPIPERIDINERefChem:497939654-083-95409-66-5(4-hydroxy-1-methyl-4-phenylpiperidin-3-yl)(phenyl)methanone(4-hydroxy-1-methyl-4-phenyl-3-piperidyl)-phenyl-methanone(4-hydroxy-1-methyl-4-phenylpiperidin-3-yl)-phenylmethanoneCHEMBL122360(4-hydroxy-1-methyl-4-phenyl-3-piperidinyl)(phenyl)methanone4-hydroxy-1-methyl-4-phenyl(3-piperidyl) phenyl ketone3-benzoyl-1-methyl-4-phenylpiperidin-4-olNSC12505
Show more names
Fluoxetine Impurity 7Fluoxetine Impurity 31Methanone, (4-hydroxy-1-methyl-4-phenyl-3-piperidinyl)phenyl-
Fluoxetine Impurity 36Cambridge id 5118844TimTec1_005371Oprea1_130205Oprea1_656231CBDivE_002509MLS000104778SCHEMBL7004017
Database identifiers
- CAS
5409-66-5- PubChem CID
- 20784
- DTXSID
DTXSID60274684- ChEMBL
CHEMBL122360- EC Number
- 654-083-9
- Nikkaji
- J1.270.264G
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 40.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 385
Physicochemical properties
- Symbol(GHS)
- 7 · GHS07,GHS09
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335-H400
- Precautionary statements
- 264 · P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P-P273-P391-P501
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P273, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P391, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 39 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07,GHS09
- Hazard statements
- H315-H319-H335-H400
- Precautionary statements
- P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P-P273-P391-P501
Chemistry & industry
Suppliers9 total
怀化元研达生物技术有限责任公司18711085600 · [email protected]
孟成科技（上海）有限公司400-820-6829 · [email protected]
怀化元研达生物技术有限责任公司18711085600; 18229999901 · [email protected]
深圳振强药物研发有限公司0755-66853366 13670046396 · [email protected]
TLC梯尔希（南京）药物研发有限公司18012923235 · [email protected]
河南誉康卓宁进出口有限公司13393721940 · [email protected]
上海语锌医药科技有限公司15921286451; 15921286451 · [email protected]
上海择睿生物科技有限公司021-54580889 18321124657 · [email protected]
卡托研究化学公司+86-020-81960175-877 4000-868-328;4000-868-328 · [email protected]
Related reactions
4 records
Compound notes
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