Basic information
- CAS
3518-76-1- Standard SMILES
OC1CCN(CCc2ccccc2)CC1- InChIKey
KYGMSTKBHJVPJK-UHFFFAOYSA-N- Molecular formula
- C13H19NO
- Average molar mass
- 205.3 g/mol
- Monoisotopic mass
- 205.14666423
Names & identifiers
- Preferred name
- 1-(2-Phenylethyl)-4-piperidinol
- IUPAC
- 1-(2-phenylethyl)piperidin-4-ol
- English name
- 1-phenethylpiperidin-4-ol
- Molecular formula
- C13H19NO
- Molecular weight
- 205.3
Names & synonyms
1-Phenethylpiperidin-4-ol3518-76-11-(2-Phenylethyl)-4-piperidinolU62RHL2Y72DTXSID90188669RefChem:1054045DTXCID00111160222-527-71-(2-Phenylethyl)piperidin-4-ol1-phenethyl-4-hydroxypiperidine1-Phenethyl-4-piperidinol1-(2-Phenylethyl)piperidine-4-ol
Show more names
4-Piperidinol,1-(2-phenylethyl)-N-(2-Phenylethyl)-4-hydroxypiperidine
4-Hydroxy-1-(2-phenylethyl)piperidineN-phenethyl-4-hydroxy piperidineEINECS 222-527-7MFCD00038874Cambridge id 5427383UNII-U62RHL2Y72Oprea1_1631584-hydroxy-N-phenethylpiperidine
Database identifiers
- CAS
3518-76-1- PubChem CID
- 77055
- DTXSID
DTXSID90188669- UNII
- U62RHL2Y72
- EC Number
- 222-527-7
- Nikkaji
- J216.168K
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 23.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 169
Experimental & physicochemical properties
DrugsDEA NFLIS-Drug Category -> Fentanyl and Fentanyl-related
Physicochemical properties
- Melting point
- 95.5 · 95.5-98.5℃
- Boiling point
- 341.9 · 341.9±22.0 °C(Predicted)
- Density
- 1.064 · 1.064±0.06 g/cm3(Predicted)
- solubility
- Acetonitrile: Slightly solubleChloroform: SolubleWater: Slightly soluble
- pka
- 14.87 · 14.87±0.20(Predicted)
- FDA UNII
- 62 RHL2Y72 · U62RHL2Y72
- HS Code
- 2933399990 · 2933399990
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
Danger
H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]
P264, P264+P265, P270, P280, P301+P316, P305+P351+P338, P321, P330, P337+P317, P405, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesAcute Tox. 3 (100%)
Safety data
- hs_code
- 2933399990
Chemistry & industry
Applications
Uses1-Phenethyl-4-piperidinol it is used in preparation of 1-Pyrrolidinyl Indane derivatives as Histamine H3 receptor antagonists useful in treatment of diseases.
Related reactions
1 records
Compound notes
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