1-tert-Butyl 4-ethyl 4-cyanopiperidine-1,4-dicarboxylate

HCID 57750376

Basic information

CAS
1016258-66-4
Standard SMILES
CCOC(=O)C1(C#N)CCN(C(=O)OC(C)(C)C)CC1
InChIKey
IEKGLZRZMZMUCH-UHFFFAOYSA-N
Molecular formula
C14H22N2O4
Average molar mass
282.34 g/mol
Monoisotopic mass
282.15795718

Names & identifiers

Preferred name
1-tert-Butyl 4-ethyl 4-cyanopiperidine-1,4-dicarboxylate
IUPAC
1-O-tert-butyl 4-O-ethyl 4-cyanopiperidine-1,4-dicarboxylate
English name
1-tert-butyl 4-ethyl 4-cyanopiperidine-1,4-dicarboxylate
Molecular formula
C14H22N2O4
Molecular weight
282.34

Names & synonyms

1-tert-Butyl 4-ethyl 4-cyanopiperidine-1,4-dicarboxylate1016258-66-41-O-tert-butyl 4-O-ethyl 4-cyanopiperidine-1,4-dicarboxylateMFCD151445561,4-Piperidinedicarboxylic acid, 4-cyano-, 1-(1,1-dimethylethyl) 4-ethyl ester1-(tert-butyl) 4-ethyl 4-cyanopiperidine-1,4-dicarboxylate1-tert-Butyl 4-ethyl 4-cyanopiperidine-14-dicarboxylateO1-tert-Butyl O4-ethyl 4-cyanopiperidine-1,4-dicarboxylateSCHEMBL3868901-tert-Butyl4-ethyl4-cyanopiperidine-1,4-dicarboxylateDTXSID60727827IEKGLZRZMZMUCH-UHFFFAOYSA-N
Show more names
1-Boc-4-cyano-4-piperidinecarboxylic acid ethyl ester1-(1,1-Dimethylethyl) 4-ethyl 4-cyano-1,4-piperidinedicarboxylate4-CYANO-PIPERIDINE-1,4-DICARBOXYLIC ACID 1-TERT-BUTYL ESTER 4-ETHYL ESTER
RQB25866AKOS016007171DS-16039CS-0151865EN300-1796661-(tert-butyl) 4-ethyl 4-cyanopiperidine-1,4-F2318411-(tert-butoxycarbonyl)-4-cyanopiperidine-4-carboxylic acid ethyl ester

Database identifiers

CAS
1016258-66-4
PubChem CID
57750376
DTXSID
DTXSID60727827

Properties

Computed structural properties

XLogP
1.6
Topological polar surface area
79.6 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
5
Rotatable bonds
5
Heavy atoms
20

Physicochemical properties

storage temp.
2 · 2-8°C
Symbol(GHS)
7 · GHS07
Signal word
Warning
Hazard statements
302 · H302-H315-H319-H335
Precautionary statements
261 · P261-P305+P351+P338

Safety & regulation

Safety data

Signal word
Warning
Symbol(GHS)
GHS07
Hazard statements
H302-H315-H319-H335
Precautionary statements
P261-P305+P351+P338

Chemistry & industry

Suppliers34 total

毕佳索(上海毕得医药科技股份有限公司)400-6005915 · [email protected]
武汉卓元易创科技有限公司13476791851 13476791851 · [email protected]
Aladdin Scientific[email protected]
河北贝克曼生物科技有限公司15961617865 15961617865 · [email protected]
上海辅欣医药科技有限公司+86-021-021-50872116 · [email protected]

Related reactions

8 records

Compound notes

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