1-Piperidinecarboxylic acid, 3-oxetanylidenedimethylene ester
Basic information
- CAS
6758-86-7- Standard SMILES
O=C(OCC1(COC(=O)N2CCCCC2)CCO1)N1CCCCC1- InChIKey
RTNGTOYXXHBQMV-UHFFFAOYSA-N- Molecular formula
- C17H28N2O5
- Average molar mass
- 340.4 g/mol
- Monoisotopic mass
- 340.199822
Names & identifiers
- Preferred name
- 1-Piperidinecarboxylic acid, 3-oxetanylidenedimethylene ester
- IUPAC
- [2-(piperidine-1-carbonyloxymethyl)oxetan-2-yl]methyl piperidine-1-carboxylate
Names & synonyms
1-Piperidinecarboxylic acid, 3-oxetanylidenedimethylene esterBRN 12646426758-86-73-Oxetanylidenedimethylene ester of 1-piperidinecarboxylic acidDTXSID002178985-20-02-00483 (Beilstein Handbook Reference)RefChem:234336DTXCID50140389(Oxetane-2,2-diyl)bis(methylene) dipiperidine-1-carboxylate
Database identifiers
- CAS
6758-86-7- PubChem CID
- 201763
- DTXSID
DTXSID00217898
Properties
Computed structural properties
- XLogP
- 1.6
- Topological polar surface area
- 68.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 6
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 410
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Compound notes
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