1-(3,4-Dimethoxybenzoyl)piperidine-4-carboxylic acid
Basic information
- CAS
510739-78-3- Standard SMILES
COc1ccc(C(=O)N2CCC(C(=O)O)CC2)cc1OC- InChIKey
GAKOEWXKEAHTES-UHFFFAOYSA-N- Molecular formula
- C15H19NO5
- Average molar mass
- 293.31 g/mol
- Monoisotopic mass
- 293.12632271
Names & identifiers
- Preferred name
- 1-(3,4-Dimethoxybenzoyl)piperidine-4-carboxylic acid
- IUPAC
- 1-(3,4-dimethoxybenzoyl)piperidine-4-carboxylic acid
- English name
- 1-(3,4-Dimethoxy-benzoyl)-piperidine-4-carboxylic acid
- Molecular formula
- C15H19NO5
- Molecular weight
- 293.32
Names & synonyms
1-(3,4-dimethoxybenzoyl)piperidine-4-carboxylic acid510739-78-31-(3,4-Dimethoxy-benzoyl)-piperidine-4-carboxylic acidMFCD021802791-[(3,4-dimethoxyphenyl)carbonyl]piperidine-4-carboxylic acid1-(3,4-dimethoxybenzoyl)-4-piperidinecarboxylic acid1-(3,4-Dimethoxy-benzoyl)-piperidine-4-carboxylicacidOprea1_306580DTXSID70352104SBB028042AKOS000147291BS-37962
Show more names
OTAVA-BB 1046061CHEMBRDG-BB 73593464-Piperidinecarboxylic acid, 1-(3,4-dimethoxybenzoyl)-1-(3,4-dimethoxybenzoyl)piperidine-4-carboxylic acid(SALTDATA: FREE)
DB-028112CS-0323015EU-0015368ST500213941-(3,4-dimethoxybenzoyl)piperidine-4-carboxylicacid
Database identifiers
- CAS
510739-78-3- PubChem CID
- 719136
- DTXSID
DTXSID70352104
Properties
Computed structural properties
- XLogP
- 1.6
- Topological polar surface area
- 76.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 378
Physicochemical properties
- 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
- hazard_code
- Xi
- hazard_class
- IRRITANT
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Related reactions
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Compound notes
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