Ethyl 4-(methylamino)-1-piperidinecarboxylate

C₉H₁₈N₂O₂CAS 73733-69-4186.25 g/mol

Open in Covalent MOL file

Carbamate Secondary amine

Properties

Molecular formula: C₉H₁₈N₂O₂
Molar mass: 186.25 g/mol
Exact mass: 186.1368 Da
logP: 0.83Crippen estimate
Polar surface area: 41.6 Å²
H-bond donors / acceptors: 1 / 3
Rotatable bonds: 2

Hazards

Warning

H302 Harmful if swallowed33.3% of notifiers
H312 Harmful in contact with skin33.3% of notifiers
H315 Causes skin irritation66.7% of notifiers
H319 Causes serious eye irritation66.7% of notifiers
H332 Harmful if inhaled33.3% of notifiers
H335 May cause respiratory irritation66.7% of notifiers

Aggregated from 6 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, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

73733-69-4

SMILES

CCOC(=O)N1CCC(NC)CC1

InChIKey

QKPLFXBOWHKIQH-UHFFFAOYSA-N

InChI

InChI=1S/C9H18N2O2/c1-3-13-9(12)11-6-4-8(10-2)5-7-11/h8,10H,3-7H2,1-2H3

Weigh it out

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

Names and synonyms

2 names

1-Piperidinecarboxylic acid, 4-(methylamino)-, ethyl ester
T 1405

Work with Ethyl 4-(methylamino)-1-piperidinecarboxylate

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

Ethyl 1-piperazinecarboxylate120-43-462 % similar Ethyl 4-amino-1-piperidinecarboxylate58859-46-461 % similar Ethyl 4-hydroxypiperidine-1-carboxylate65214-82-661 % similar 1-Boc-4-methylaminopiperidine147539-41-161 % similar 1-(Ethoxycarbonyl)-4-piperidinecarboxylic acid118133-15-656 % similar 1-(Ethoxycarbonyl)-4-piperidone29976-53-253 % similar 4-(2-Hydroxyethyl)-piperazin-1-carboxylic acid ethyl ester14000-66-951 % similar 1,1-Dimethylethyl (3S)-3-(methylamino)-1-pyrrolidinecarboxylate147081-59-250 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

(S)-3-(Boc-amino)pyrrolidine122536-76-9 (3R)-(+)-3-(tert-Butoxycarbonylamino)pyrrolidine122536-77-0 (S)-(-)-1-tert-Butoxycarbonyl-3-aminopyrrolidine147081-44-5 (R)-tert-Butyl 3-aminopyrrolidine-1-carboxylate147081-49-0 tert-Butyl 3-aminopyrrolidine-1-carboxylate186550-13-0 1-Boc-3-(aminomethyl)azetidine325775-44-8 1-Boc-3-methylaminoazetidine454703-20-9 Dimorpholinomethane5625-90-1

Elsewhere

PubChem CAS Common Chemistry NIST WebBook