1-(4-Ethynylphenyl)piperidin-4-ol
Basic information
- CAS
1421580-84-8- Standard SMILES
C#Cc1ccc(N2CCC(O)CC2)cc1- InChIKey
FZDYPDHAQBBYLW-UHFFFAOYSA-N- Molecular formula
- C13H15NO
- Average molar mass
- 201.26 g/mol
- Monoisotopic mass
- 201.1153641
Names & identifiers
- Preferred name
- 1-(4-Ethynylphenyl)piperidin-4-ol
- IUPAC
- 1-(4-ethynylphenyl)piperidin-4-ol
Names & synonyms
RefChem:4254351-(4-ethynylphenyl)piperidin-4-ol1421580-84-8836-572-0SCHEMBL14661545SCHEMBL14662156Z2568738733
Database identifiers
- CAS
1421580-84-8- PubChem CID
- 71239554
- EC Number
- 836-572-0
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 23.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 239
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
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, 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. 4 (100%)
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Related reactions
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Compound notes
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