Basic information
- CAS
53361-58-3- Standard SMILES
CCOC(=O)C(CN1CCCCC1)(C(=O)OCC)c1ccccc1- InChIKey
LNPAHLGTMZENQF-UHFFFAOYSA-N- Molecular formula
- C19H27NO4
- Average molar mass
- 333.4 g/mol
- Monoisotopic mass
- 333.19400834
Names & identifiers
- Preferred name
- Malonic acid, phenyl(piperidinomethyl)-, diethyl ester
- IUPAC
- diethyl 2-phenyl-2-(piperidin-1-ylmethyl)propanedioate
Names & synonyms
Sch 3801Phenyl(piperidinomethyl)malonic acid diethyl esterBRN 0309513MALONIC ACID, PHENYL(PIPERIDINOMETHYL)-, DIETHYL ESTER53361-58-3Fenil piperidinometil malonato dietilico [Italian]Fenil piperidinometil malonato dietilicoDTXSID702015270-20-00-00066 (Beilstein Handbook Reference)RefChem:351848DTXCID00124018Diethyl phenyl[(piperidin-1-yl)methyl]propanedioate
Database identifiers
- CAS
53361-58-3- PubChem CID
- 40745
- DTXSID
DTXSID70201527- Nikkaji
- J147.614I
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 55.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 9
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 394
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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