Benzoic acid, 4-amino-2-chloro-, 4-benzoyl-1-methyl-4-piperidinyl ester, conjugate monoacid
Basic information
- CAS
71266-48-3- Standard SMILES
CN1CCC(OC(=O)c2ccc(N)cc2Cl)(C(=O)c2ccccc2)CC1- InChIKey
JSGYSAYTCMWPQV-UHFFFAOYSA-N- Molecular formula
- C20H21ClN2O3
- Average molar mass
- 372.8 g/mol
- Monoisotopic mass
- 372.1240702
Names & identifiers
- Preferred name
- Benzoic acid, 4-amino-2-chloro-, 4-benzoyl-1-methyl-4-piperidinyl ester, conjugate monoacid
- IUPAC
- (4-benzoyl-1-methylpiperidin-4-yl) 4-amino-2-chlorobenzoate
Names & synonyms
Benzoic acid, 4-amino-2-chloro-, 4-benzoyl-1-methyl-4-piperidinyl ester, conjugate monoacid71266-48-3DTXSID402214394-Amino-2-chlorobenzoic acid 4-benzoyl-1-methyl-4-piperidinyl ester conjugate monoacidRefChem:327515DTXCID901439304-Benzoyl-1-methylpiperidin-4-yl 4-amino-2-chlorobenzoate
Database identifiers
- CAS
71266-48-3- PubChem CID
- 51290
- DTXSID
DTXSID40221439
Properties
Computed structural properties
- XLogP
- 3.5
- Topological polar surface area
- 72.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 513
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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