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Malonic acid, ethyl(piperidinomethyl)-, diethyl ester

HCID 56489
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Basic information

CAS
92793-35-6
Standard SMILES
CCOC(=O)C(C(=O)OCC)C(C)CN1CCCCC1
InChIKey
MJJWFTPLZIOGRM-UHFFFAOYSA-N
Molecular formula
C15H27NO4
Average molar mass
285.38 g/mol
Monoisotopic mass
285.19400834

Names & identifiers

Preferred name
Malonic acid, ethyl(piperidinomethyl)-, diethyl ester
IUPAC
diethyl 2-(1-piperidin-1-ylpropan-2-yl)propanedioate

Names & synonyms

Sch 3701Ethyl(piperidinomethyl)malonic acid diethyl esterBRN 022690792793-35-6Etil piperidinometil malonato dietilicoEtil piperidinometil malonato dietilico [Italian]MALONIC ACID, ETHYL(PIPERIDINOMETHYL)-, DIETHYL ESTER5-20-03-00099 (Beilstein Handbook Reference)RefChem:351843DTXSID20918956diethyl [1-(piperidin-1-yl)propan-2-yl]propanedioate

Database identifiers

CAS
92793-35-6
PubChem CID
56489
DTXSID
DTXSID20918956

Properties

Computed structural properties

XLogP
2.6
Topological polar surface area
55.8 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
5
Rotatable bonds
9
Heavy atoms
20
Formal charge
0
Complexity
295

Related reactions

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Compound notes

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