Nicotinic acid, 1,2,5,6-tetrahydro-1-methyl-4-(2-methylpiperidino)-, methyl ester, hydrochloride, hydrate
Basic information
- CAS
101952-75-4- Standard SMILES
COC(=O)C1=C(N2CCCCC2C)CC[NH+](C)C1.[Cl-]- InChIKey
JKRRZQZOPLSHDV-UHFFFAOYSA-N- Molecular formula
- C14H25ClN2O2
- Average molar mass
- 288.81 g/mol
- Monoisotopic mass
- 288.1604557
Names & identifiers
- Preferred name
- Nicotinic acid, 1,2,5,6-tetrahydro-1-methyl-4-(2-methylpiperidino)-, methyl ester, hydrochloride, hydrate
- IUPAC
- methyl 1-methyl-4-(2-methylpiperidin-1-yl)-1,2,3,6-tetrahydropyridin-1-ium-5-carboxylate chloride
Names & synonyms
101952-75-4Nicotinic acid, 1,2,5,6-tetrahydro-1-methyl-4-(2-methylpiperidino)-, methyl ester, hydrochloride, hydrateRefChem:10923934-(2-Methylpiperidino)arecaidine methyl ester hydrochloride hydrate3-Carbomethoxy-1-methyl-4-(2-methylpiperidino)-1,2,5,6-tetrahydropyridine HCl hydratemethyl 1-methyl-4-(2-methylpiperidin-1-yl)-1,2,3,6-tetrahydropyridin-1-ium-5-carboxylate;chlorideNicotinic acid, 1,2,5,6-tetrahydro-1-methyl-4-(2-methylpiperidino)-, m ethyl ester, hydrochloride, h
Database identifiers
- CAS
101952-75-4- PubChem CID
- 59187
Properties
Computed structural properties
- Topological polar surface area
- 34 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 352
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Compound notes
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