1-(1,1-Dimethylethyl) 4-methyl 4-(aminomethyl)-1,4-piperidinedicarboxylate

C₁₃H₂₄N₂O₄CAS 362703-35-3272.35 g/mol

Open in Covalent MOL file

Carbamate Ester Primary amine

Properties

Molecular formula: C₁₃H₂₄N₂O₄
Molar mass: 272.35 g/mol
Exact mass: 272.1736 Da
logP: 1.14Crippen estimate
Polar surface area: 81.9 Å²
H-bond donors / acceptors: 1 / 5
Rotatable bonds: 2

Hazards

Danger

H302 Harmful if swallowed20% of notifiers
H312 Harmful in contact with skin20% of notifiers
H315 Causes skin irritation100% of notifiers
H318 Causes serious eye damage40% of notifiers
H319 Causes serious eye irritation60% of notifiers
H332 Harmful if inhaled20% of notifiers
H335 May cause respiratory irritation100% of notifiers

Aggregated from 5 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P305+P354+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

362703-35-3

SMILES

COC(=O)C1(CN)CCN(C(=O)OC(C)(C)C)CC1

InChIKey

HZHZQEZZXBLFHO-UHFFFAOYSA-N

InChI

InChI=1S/C13H24N2O4/c1-12(2,3)19-11(17)15-7-5-13(9-14,6-8-15)10(16)18-4/h5-9,14H2,1-4H3

Weigh it out

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

Names and synonyms

3 names

1,4-Piperidinedicarboxylic acid, 4-(aminomethyl)-, 1-(1,1-dimethylethyl) 4-methyl ester
1-O-tert-Butyl 4-O-methyl 4-(aminomethyl)piperidine-1,4-dicarboxylate
1-tert-Butyl 4-methyl 4-(aminomethyl)piperidine-1,4-dicarboxylate

Work with 1-(1,1-Dimethylethyl) 4-methyl 4-(aminomethyl)-1,4-piperidinedicarboxylate

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

tert-Butyl 4-(aminomethyl)-4-hydroxypiperidine-1-carboxylate392331-66-759 % similar tert-Butyl 4-aminomethyl-4-fluoropiperidine-1-carboxylate620611-27-059 % similar Ethyl N-boc-4-methylpiperidine-4-carboxylate189442-87-353 % similar tert-Butyl 4,4-difluoropiperidine-1-carboxylate281652-10-651 % similar tert-Butyl 3,9-diazaspiro[5.5]undecane-3-carboxylate173405-78-251 % similar 1,1-Dimethylethyl 9-oxo-3-azaspiro[5.5]undecane-3-carboxylate873924-08-451 % similar 1-Boc-4-spiro-[3-(2-pyrrolidinone)] piperidine268550-48-751 % similar tert-Butyl 1-oxa-6-azaspiro(2.5)octane-6-carboxylate147804-30-650 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

1-Boc-4-[methoxy(methyl)carbamoyl]piperidine139290-70-3

Elsewhere

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