4-N-Boc-4-N-Methyl-aminopiperidine

HCID 2756806

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Grundinformationen

CAS: 108612-54-0
Standard-SMILES: CN(C(=O)OC(C)(C)C)C1CCNCC1
InChIKey: DJJOYDXRUBOZON-UHFFFAOYSA-N
Summenformel: C11H22N2O2
Durchschnittliche Molmasse: 214,3 g/mol
Monoisotopische Masse: 214,16812794

Namen und Bezeichner

Bevorzugter Name: 4-N-Boc-4-N-Methyl-aminopiperidine
IUPAC: tert-butyl N-methyl-N-piperidin-4-ylcarbamate
Englischer Name: 4-N-Boc-4-N-Methyl-aminopiperidine
Summenformel: C11H22N2O2
Molmasse: 214.31

Namen und Synonyme

4-N-Boc-4-N-methyl-aminopiperidineRefChem:525812672-392-7108612-54-0tert-butyl methyl(piperidin-4-yl)carbamate4-(N-Boc-N-methylamino)piperidinetert-butyl N-methyl-N-(piperidin-4-yl)carbamate4-N-Boc-4-N-methylaminopiperidine4-boc-4-methylaminopiperidineMFCD02683051tert-butyl N-methyl-N-piperidin-4-ylcarbamateMethyl-piperidin-4-yl-carbamic acid tert-butyl ester

Weitere Namen anzeigen

4-N-Boc-4-N-ethyla-aminopiperidineBUTTPARK 90\06-174-Boc-methylaminopiperidine4-N-Boc-amino-piperidinecitrate4-N-Boc-4-(MethylaMino)piperidine

tert-Butyl Methyl(4-piperidyl)carbamateSY005204t-butyl N-methyl-N-(piperidin-4-yl)carbamatemethylpiperidin-4-ylcarbamic acid tert-butyl esterMethyl-piperidin-4-yl-carbamic acid-tert butyl estermethyl-piperidine-4-yl-carbamic acid tert-butyl estermethylpiperidine-4-yl-carbamic acid, tert-butyl estercarbamic acid, methyl(4-piperidinyl)-, 1,1-dimethylethyl ester

Datenbank-Bezeichner

CAS: 108612-54-0
PubChem CID: 2756806
DTXSID: DTXSID70373551
ChEMBL: CHEMBL4545517
EC Number: 672-392-7

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 1,2
Polarare Oberfläche (TPSA): 41,6 Å²
H-Brücken-Donoren: 1
H-Brücken-Akzeptoren: 3
Frei drehbare Bindungen: 3
Schwere Atome: 15
Formalladung: 0
Komplexität: 217

Physikochemische Eigenschaften

Schmelzpunkt: 50 °C · 50°C(lit.)
Siedepunkt: 287.9 · 287.9±29.0 °C(Predicted)
Dichte: 1.01 · 1.01±0.1 g/cm3(Predicted)
storage temp.: 2 · under inert gas (nitrogen or Argon) at 2–8 °C
Aggregatzustand: crystalline powder
pka: 10.05 · 10.05±0.10(Predicted)
Farbe: White
InChI: InChI=1S/C11H22N2O2/c1-11(2,3)15-10(14)13(4)9-5-7-12-8-6-9/h9,12H,5-8H2,1-4H3
InChIKey: DJJOYDXRUBOZON-UHFFFAOYSA-N
SMILES: C(OC(C)(C)C)(=O)N(C)C1CCNCC1
CAS Datenbank: 108612 · 108612-54-0(CAS DataBase Reference)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 3 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Gefahrenhinweise

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

Sicherheitsdaten

hs_code: 29339900
risk_code: 36/37/38
hazard_code: Xi
hazard_note: Irritant
safety_code: 26-28-36-44

Chemie und Industrie

Anwendungen · 1 Eintrag

Verwenden4-N-Boc-4-N-methyl-aminopiperidine, or Tert-butyl methyl(piperidin-4-yl)carbamate (TBMPC) is a derivative of piperidine and is structurally similar to other carbamates. It inhibits the enzyme cyclooxygenase and modulates the activity of the neurotransmitter GABA. This compound has demonstrated anticonvulsant and anti-inflammatory activity. TBMPC has been studied for its potential use in various in vivo and in vitro applications. It has been reported to reduce the frequency and duration of seizures in animal models and reduce the production of pro-inflammatory cytokines in cell culture.