Basic information
- CAS
63916-64-3- Standard SMILES
CC1CCCCN1CCCOC(=O)c1ccc(Br)cc1- InChIKey
XTBYBRINUMAOSK-UHFFFAOYSA-N- Molecular formula
- C16H22BrNO2
- Average molar mass
- 340.25 g/mol
- Monoisotopic mass
- 339.08339
Names & identifiers
- Preferred name
- Benzoic acid, p-bromo-, 3-(2'-methylpiperidino)propyl ester
- IUPAC
- 3-(2-methylpiperidin-1-yl)propyl 4-bromobenzoate
- English name
- 3-(2-Methylpiperidino)propyl=p-bromobenzoate
- Molecular formula
- C16H22BrNO2
- Molecular weight
- 340.26
Names & synonyms
63916-64-3BENZOIC ACID, p-BROMO-, 3-(2'-METHYLPIPERIDINO)PROPYL ESTERRefChem:10793083-(2'-Methylpiperidino)propyl p-bromobenzoate3-(2-methylpiperidin-1-yl)propyl 4-bromobenzoateDTXSID109810183-(2-Methylpiperidino)propyl=p-bromobenzoateBenzoic acid, 4-bromo-, 3-(2-methyl-1-piperidinyl)propyl ester
Database identifiers
- CAS
63916-64-3- PubChem CID
- 45227
- DTXSID
DTXSID10981018- Nikkaji
- J73.882D
Properties
Computed structural properties
- XLogP
- 4.1
- Topological polar surface area
- 29.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 6
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 303
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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