2-Phenyl-2-(piperidin-1-yl)acetic acid
Basic information
- CAS
107416-49-9- Standard SMILES
O=C(O)C(c1ccccc1)N1CCCCC1- InChIKey
XPRRFTHGWKHATR-UHFFFAOYSA-N- Molecular formula
- C13H17NO2
- Average molar mass
- 219.28 g/mol
- Monoisotopic mass
- 219.12592879
Names & identifiers
- Preferred name
- 2-Phenyl-2-(piperidin-1-yl)acetic acid
- IUPAC
- 2-phenyl-2-piperidin-1-ylacetic acid
- English name
- 2-phenyl-2-(piperidin-1-yl)acetic acid
- Molecular formula
- C13H17NO2
- Molecular weight
- 219.28
Names & synonyms
2-phenyl-2-(piperidin-1-yl)acetic acid107416-49-9DTXSID90328265RefChem:265217DTXCID802793732-phenyl-2-piperidin-1-ylacetic acid2-Phenyl-2-(piperidin-1-yl)-acetic acid2-phenyl-2-(piperidin-1-yl)aceticacidrac-2-phenyl-2-(piperidin-1-yl)acetic acidphenyl(piperidin-1-yl)acetic acidMFCD05237208BAS 07571313
Show more names
1-Piperidineacetic acid, α-phenyl-alpha-Phenyl-1-piperidineacetic acid2-Phenyl-2-(piperidin-1-yl)acetic acid hydrobromide
TimTec1_008321SCHEMBL18089562-phenyl-2-piperidylacetic acidCHEMBL1625754SCHEMBL28128395HMS1557K052-phenyl-2-(1-piperidyl)acetic acidAKOS000303506
Database identifiers
- CAS
107416-49-9- PubChem CID
- 408627
- DTXSID
DTXSID90328265- ChEMBL
CHEMBL1625754- Nikkaji
- J2.151.757G
Properties
Computed structural properties
- XLogP
- 0.1
- Topological polar surface area
- 40.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 230
Physicochemical properties
- Melting point
- 197 · 197-201℃
- storage temp.
- 2 · 2-8°C
- Comptox DTXSID
- 90328265 · DTXSID90328265
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H332-H335
- Precautionary statements
- 261 · P261-P280-P305+P351+P338
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H332-H335
- Precautionary statements
- P261-P280-P305+P351+P338
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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