Basic information
- CAS
108984-35-6- Standard SMILES
CCOC(=O)C1CCCN(Cc2c(O)ccc3ccccc23)C1- InChIKey
QVCOJNSOQPFNPA-UHFFFAOYSA-N- Molecular formula
- C19H23NO3
- Average molar mass
- 313.4 g/mol
- Monoisotopic mass
- 313.1677936
Names & identifiers
- Preferred name
- Nipecotic acid, 1-((2-hydroxy-1-naphthyl)methyl)-, ethyl ester
- IUPAC
- ethyl 1-[(2-hydroxynaphthalen-1-yl)methyl]piperidine-3-carboxylate
Names & synonyms
BRN 0293703Ro 3-0570108984-35-61-((2-Hydroxy-1-naphthyl)methyl)nipecotic acid ethyl ester1-(3'-Ethoxycarbonylpiperidinomethyl)-2-naphthol4-22-00-00124 (Beilstein Handbook Reference)NIPECOTIC ACID, 1-((2-HYDROXY-1-NAPHTHYL)METHYL)-, ETHYL ESTERRefChem:365682ethyl 1-[(2-hydroxynaphthalen-1-yl)methyl]piperidine-3-carboxylateDTXSID90910947AKOS003665941
Database identifiers
- CAS
108984-35-6- PubChem CID
- 60288
- DTXSID
DTXSID90910947
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 49.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 400
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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