1-tert-Butyl 2-methyl piperidine-1,2-dicarboxylate

C₁₂H₂₁NO₄CAS 167423-93-0243.30 g/mol

Open in Covalent MOL file

Carbamate Ester

Properties

Molecular formula: C₁₂H₂₁NO₄
Molar mass: 243.30 g/mol
Exact mass: 243.1471 Da
logP: 1.95Crippen estimate
Polar surface area: 55.8 Å²
H-bond donors / acceptors: 0 / 4
Rotatable bonds: 1

Hazards

Warning

H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation100% of notifiers

Aggregated from the ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

167423-93-0

SMILES

CC(C)(C)OC(=O)N1CCCCC1C(=O)OC

InChIKey

PVMJFJDVCVNWQN-UHFFFAOYSA-N

InChI

InChI=1S/C12H21NO4/c1-12(2,3)17-11(15)13-8-6-5-7-9(13)10(14)16-4/h9H,5-8H2,1-4H3

Weigh it out

Type any one amount. The others follow from the molar mass.

Work with 1-tert-Butyl 2-methyl piperidine-1,2-dicarboxylate

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

Boc-L-pro-ome59936-29-792 % similar Boc-D-pro-ome73323-65-692 % similar Azetidine-1,2-dicarboxylic acid 1-tert-butyl ester 2-methyl ester255882-72-582 % similar 1-[(tert-Butoxy)carbonyl]piperidine-2-carboxylic acid118552-55-965 % similar (2S)-1-((tert-Butoxy)carbonyl)piperidine-2-carboxylic acid26250-84-065 % similar (R)-(+)-N-Boc-2-piperidinecarboxylic acid28697-17-865 % similar tert-Butyl 2-carbamoylpiperidine-1-carboxylate388077-74-565 % similar (S)-1-N-Boc-piperidine-2-carboxamide78058-41-065 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

1-(1,1-Dimethylethyl) (2S)-4,4-dimethyl-1,2-pyrrolidinedicarboxylate1001353-87-2 Boc-L-cyclopentylglycine109183-72-4 1-tert-Butoxycarbonylamino-cyclohexanecarboxylic acid115951-16-1 1-(1,1-Dimethylethyl) 4-methyl 1,4-piperidinedicarboxylate124443-68-1 4-[[(1,1-Dimethylethoxy)carbonyl]amino]cyclohexanecarboxylic acid130309-46-5 Methyl N-boc-piperidine-3-carboxylate148763-41-1 [1-(tert-Butoxycarbonyl)piperidin-4-yl]acetic acid157688-46-5 tert-Butyl 3-(2-ethoxy-2-oxoethyl)azetidine-1-carboxylate158602-35-8

Elsewhere

PubChem CAS Common Chemistry NIST WebBook