1-(4-Methoxybenzoyl)piperidine-4-carboxylic acid
Basic information
- CAS
510739-83-0- Standard SMILES
COc1ccc(C(=O)N2CCC(C(=O)O)CC2)cc1- InChIKey
ZMEVUKYYWCUUJF-UHFFFAOYSA-N- Molecular formula
- C14H17NO4
- Average molar mass
- 263.29 g/mol
- Monoisotopic mass
- 263.11575802
Names & identifiers
- Preferred name
- 1-(4-Methoxybenzoyl)piperidine-4-carboxylic acid
- IUPAC
- 1-(4-methoxybenzoyl)piperidine-4-carboxylic acid
- English name
- 1-(4-Methoxy-benzoyl)-piperidine-4-carboxylic acid
- Molecular formula
- C14H17NO4
- Molecular weight
- 263.29
Names & synonyms
510739-83-01-(4-methoxybenzoyl)piperidine-4-carboxylic acidDTXSID20353323RefChem:225277DTXCID303043861-(4-methoxybenzoyl)-4-piperidinecarboxylic acid1-(4-Methoxy-benzoyl)-piperidine-4-carboxylic acidMFCD018758044-piperidinecarboxylic acid, 1-(4-methoxybenzoyl)-1-[(4-methoxyphenyl)carbonyl]piperidine-4-carboxylic acidMLS000123074Cambridge id 7360927
Show more names
AKOS BB-9996AKOS BBV-007562OTAVA-BB 1046057CHEMBRDG-BB 73609271-(4-methoxybenzoyl)isonipecotic acid1-(4-methoxyphenyl)carbonylpiperidine-4-carboxylic acid1-[(4-methoxyphenyl)-oxomethyl]-4-piperidinecarboxylic acid
CHEMBL1478790HMS1681G18HMS2438L07ALBB-028546SBB027984STK795177AKOS000128017AB11549
Database identifiers
- CAS
510739-83-0- PubChem CID
- 738124
- DTXSID
DTXSID20353323- ChEMBL
CHEMBL1478790
Properties
Computed structural properties
- XLogP
- 1.4
- Topological polar surface area
- 66.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 328
Physicochemical properties
- Melting point
- 170 · 170-173°C
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 261 · P261-P305+P351+P338
- Hazard Codes
- Xi
- HazardClass
- IRRITANT
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_code
- Xi
- hazard_class
- IRRITANT
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P261-P305+P351+P338
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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