tert-Butyl 3,6-dihydropyridine-1(2H)-carboxylate

C₁₀H₁₇NO₂CAS 85838-94-4183.25 g/mol

Open in Covalent MOL file

Alkene Carbamate

Properties

Molecular formula: C₁₀H₁₇NO₂
Molar mass: 183.25 g/mol
Exact mass: 183.1259 Da
logP: 2.18Crippen estimate
Polar surface area: 29.5 Å²
H-bond donors / acceptors: 0 / 2
Rotatable bonds: 0

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number

85838-94-4

SMILES

CC(C)(C)OC(=O)N1CCC=CC1

InChIKey

SHHHRQFHCPINIB-UHFFFAOYSA-N

InChI

InChI=1S/C10H17NO2/c1-10(2,3)13-9(12)11-7-5-4-6-8-11/h4-5H,6-8H2,1-3H3

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Names and synonyms

1 names

N-Boc-1,2,3,6-tetrahydropyridine

Work with tert-Butyl 3,6-dihydropyridine-1(2H)-carboxylate

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

N-(tert-Butoxycarbonyl)-2,5-dihydro-1H-pyrrole73286-70-177 % similar 1,1-Dimethylethyl 1-pyrrolidinecarboxylate86953-79-958 % similar 1,1-Dimethylethyl 1-piperidinecarboxylate75844-69-856 % similar N-Boc-diethanolamine103898-11-953 % similar N-Boc-N,N-bis(2-chloroethyl)amine118753-70-153 % similar 1-Boc-4-methylpiperazine53788-49-153 % similar N-Boc-piperazine57260-71-653 % similar tert-Butyl 4-oxopiperidine-1-carboxylate79099-07-353 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

tert-Butyl 3-methylidenepyrrolidine-1-carboxylate114214-71-0 4-Aminobicyclo[2.2.2]octane-1-carboxylic acid methyl ester135908-33-7 N-1-Boc-amino-3-cyclopentene193751-54-1 4-Diethylamino-2-butynyl acetate22396-77-6

Elsewhere

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