Basic information
- CAS
64038-02-4- Standard SMILES
CC1CCCCN1CCCOC(=O)c1cccnc1- InChIKey
UYOCGYKHIPHFBD-UHFFFAOYSA-N- Molecular formula
- C15H22N2O2
- Average molar mass
- 262.35 g/mol
- Monoisotopic mass
- 262.16812795
Names & identifiers
- Preferred name
- Nicotinic acid, 3-(2'-methylpiperidino)propyl ester
- IUPAC
- 3-(2-methylpiperidin-1-yl)propyl pyridine-3-carboxylate
- English name
- 3-(2-Methylpiperidino)propyl=nicotinate
- Molecular formula
- C15H22N2O2
- Molecular weight
- 262.35
Names & synonyms
64038-02-4NICOTINIC ACID, 3-(2'-METHYLPIPERIDINO)PROPYL ESTERRefChem:10923983-(2-methylpiperidin-1-yl)propyl pyridine-3-carboxylatePyridine-3-carboxylic acid, 3'-(2''-methylpiperidino)propyl esterDTXSID809820523-(2-Methylpiperidino)propyl=nicotinate3-Pyridinecarboxylic acid, 3-(2-methyl-1-piperidinyl)propyl ester
Database identifiers
- CAS
64038-02-4- PubChem CID
- 46478
- DTXSID
DTXSID80982052- Nikkaji
- J68.312D
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 42.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 283
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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