Diethyl 2-(1-(tert-butoxycarbonyl)piperidin-4-yl)malonate

HCID 59605280

Basic information

CAS
1257294-02-2
Standard SMILES
CCOC(=O)C(C(=O)OCC)C1CCN(C(=O)OC(C)(C)C)CC1
InChIKey
SQKHGFZJAIMEFQ-UHFFFAOYSA-N
Molecular formula
C17H29NO6
Average molar mass
343.4 g/mol
Monoisotopic mass
343.19948765

Names & identifiers

Preferred name
Diethyl 2-(1-(tert-butoxycarbonyl)piperidin-4-yl)malonate
IUPAC
diethyl 2-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]propanedioate
English name
diethyl 2-(1-(tert-butoxycarbonyl)piperidin-4-yl)Malonate
Molecular formula
C17H29NO6
Molecular weight
343.42

Names & synonyms

1257294-02-2diethyl 2-(1-(tert-butoxycarbonyl)piperidin-4-yl)malonatediethyl 2-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]propanedioateMFCD12032187SQKHGFZJAIMEFQ-UHFFFAOYSA-NSCHEMBL1873727Diethyl2-(1-(tert-butoxycarbonyl)piperidin-4-yl)malonateDTXSID10732481AKOS016845300Diethyl 2-(1-Boc-4-piperidyl)malonateSY417260DB-114324
Show more names
Propanedioic acid, 2-[1-[(1,1-dimethylethoxy)carbonyl]-4-piperidinyl]-, 1,3-diethyl ester
F51917diethyl[1-(tert-butoxycarbonyl)piperidin-4-yl]malonatediethyl [1-(tert-butoxycarbonyl)piperidin-4-yl]malonatediethyl [1-(tert-butoxycarbonyl)piperidine-4-yl]malonatediethyl[1-(tert-butoxycarbonyl)piperidine-4-yl]malonateDiethyl [1-(tert-butoxycarbonyl)piperidin-4-yl]propanedioate2-(1-(tert-Butoxycarbonyl)piperidin-4-yl)malonic acid diethyl ester

Database identifiers

CAS
1257294-02-2
PubChem CID
59605280
DTXSID
DTXSID10732481

Properties

Computed structural properties

XLogP
2.5
Topological polar surface area
82.1 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
6
Rotatable bonds
9
Heavy atoms
24

Physicochemical properties

Boiling point
403.5 · 403.5±15.0 °C(Predicted)
Density
1.108 · 1.108±0.06 g/cm3(Predicted)
storage temp.
2 · 2-8°C
pka
12.49 · 12.49±0.20(Predicted)

Chemistry & industry

Suppliers5 total

NINGBOBENKANGJS PHARMTECHCO., LTD+8615990591583 15990591583
郑州药领医药科技有限公司13526569071 · [email protected]
宁波苯康基石医药科技有限公司15990591583
韶远科技(上海)有限公司021-50795510 4000665055 · [email protected]
江阴康源生物医药科技有限公司0510-86010668 · [email protected]

Related reactions

11 records

Compound notes

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