Benzoic acid, 4-(butylamino)-2-chloro-, 1-methyl-4-piperidyl ester
Basic information
- CAS
4846-77-9- Standard SMILES
CCCCNc1ccc(C(=O)OC2CCN(C)CC2)c(Cl)c1- InChIKey
WROMRZIXHGGSBM-UHFFFAOYSA-N- Molecular formula
- C17H25ClN2O2
- Average molar mass
- 324.8 g/mol
- Monoisotopic mass
- 324.1604557
Names & identifiers
- Preferred name
- Benzoic acid, 4-(butylamino)-2-chloro-, 1-methyl-4-piperidyl ester
- IUPAC
- (1-methylpiperidin-4-yl) 4-(butylamino)-2-chlorobenzoate
Names & synonyms
Chloroparidocaine4846-77-9BENZOIC ACID, 4-(BUTYLAMINO)-2-CHLORO-, 1-METHYL-4-PIPERIDYL ESTERNSC 328460BRN 1434646N-Methyl-4-piperidyl 4-(butylamino)-2-chlorobenzoateDTXSID70197532RefChem:327486DTXCID30120023NSC-3284601-methylpiperidin-4-yl 4-(butylamino)-2-chlorobenzoate(1-methyl-4-piperidyl) 4-butylamino-2-chloro-benzoate
Show more names
NSC328460(1-methylpiperidin-4-yl) 4-(butylamino)-2-chlorobenzoateSMY4ER6K2DDS-0076974-Piperidinol, 1-methyl-, 4-(butylamino)-2-chlorobenzoate (ester)
Database identifiers
- CAS
4846-77-9- PubChem CID
- 20989
- DTXSID
DTXSID70197532- UNII
- SMY4ER6K2D
- Nikkaji
- J73.903K
Properties
Computed structural properties
- XLogP
- 4.2
- Topological polar surface area
- 41.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 7
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 346
Suppliers
Loading…
Open inquiries
Loading…
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…