1-(4-Tert-butylbenzoyl)piperidine-4-carboxylic acid
Basic information
- CAS
593261-87-1- Standard SMILES
CC(C)(C)c1ccc(C(=O)N2CCC(C(=O)O)CC2)cc1- InChIKey
BJBSXVBIXHZPGO-UHFFFAOYSA-N- Molecular formula
- C17H23NO3
- Average molar mass
- 289.4 g/mol
- Monoisotopic mass
- 289.1677936
Names & identifiers
- Preferred name
- 1-(4-Tert-butylbenzoyl)piperidine-4-carboxylic acid
- IUPAC
- 1-(4-tert-butylbenzoyl)piperidine-4-carboxylic acid
- English name
- 1-(4-tert-butylbenzoyl)piperidine-4-carboxylic acid
- Molecular formula
- C17H23NO3
- Molecular weight
- 289.37
Names & synonyms
593261-87-11-(4-tert-butylbenzoyl)piperidine-4-carboxylic acid1-(4-(tert-Butyl)benzoyl)piperidine-4-carboxylic acidMFCD03056632Oprea1_6733871-(4-tert-butylbenzoyl)-4-piperidinecarboxylic acidSCHEMBL6504711DTXSID803528971-[(4-tert-butylphenyl)carbonyl]piperidine-4-carboxylic acidHMS1690K05STK110109AKOS000134203
Show more names
AKOS BBV-015791OTAVA-BB 10167274-Piperidinecarboxylic acid, 1-[4-(1,1-dimethylethyl)benzoyl]-1-(4-(Tert-butyl)benzoyl)piperidine-4-carboxylic acid - [B93131]1-(4-tert-butylbenzoyl)piperidine-4-carboxylic acid(SALTDATA: FREE)
BS-38327DB-311060CS-0326903ST50021422G82482F3154531-(4-(tert-Butyl)benzoyl)piperidine-4-carboxylicacid1-(4-tert-butylphenyl)carbonylpiperidine-4-carboxylic acid
Database identifiers
- CAS
593261-87-1- PubChem CID
- 735979
- DTXSID
DTXSID80352897
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 57.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 383
Physicochemical properties
- storage temp.
- 2 · 2-8°C, sealed storage, away from moisture
- Appearance
- White to off-white Solid
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · 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-H335
- Precautionary statements
- P280-P305+P351+P338
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Compound notes
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