1,4'-Bipiperidyl

1,4'-Bipiperidine

HCID 78607CAS 4897-50-1

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Grundinformationen

Standard-SMILES: C1CCN(C2CCNCC2)CC1
InChIKey: QDVBKXJMLILLLB-UHFFFAOYSA-N
Summenformel: C10H20N2
Durchschnittliche Molmasse: 168,28 g/mol
Monoisotopische Masse: 168,16264864

Überblick

1,4'-bipiperidine is a bipiperidine.

Namen und Bezeichner

Bevorzugter Name: 1,4'-Bipiperidine
IUPAC: 1-piperidin-4-ylpiperidine
Lokaler Name: 1,4'-Bipiperidyl
Englischer Name: 4-Piperidinopiperidine
Summenformel: C10H20N2
Molmasse: 168.28

Namen und Synonyme

1,4'-Bipiperidine4897-50-14-PIPERIDINO-PIPERIDINE1,4'-Bipiperidyl4-(1-piperidinyl)piperidine4-piperidin-1-ylpiperidine1-(4-PIPERIDYL)PIPERIDINEWBP6BM27HPEINECS 225-522-8CHEBI:40117DTXSID20197648RefChem:415749

Weitere Namen anzeigen

AKOS BB-91804-Piperidinopiperid3-Boc-aminopiperidin1,4'-Bipiperidine 98%1,4'-Bipiperidine,99%4-Piperidinopiperdine

DTXCID80120139225-522-8InChI=1/C10H20N2/c1-2-8-12(9-3-1)10-4-6-11-7-5-10/h10-11H,1-9H4-Piperidinopiperidine[1,4']BIPIPERIDINYL1-piperidin-4-ylpiperidineMFCD000064754-(piperidin-1-yl)piperidine

Datenbank-Bezeichner

CAS: 4897-50-1
PubChem CID: 78607
DTXSID: DTXSID20197648
ChEMBL: CHEMBL174391
ChEBI: CHEBI:40117
UNII: WBP6BM27HP
EC Number: 225-522-8
Nikkaji: J236.135C

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 1,2
Polarare Oberfläche (TPSA): 15,3 Å²
H-Brücken-Donoren: 1
H-Brücken-Akzeptoren: 2
Frei drehbare Bindungen: 1
Schwere Atome: 12
Formalladung: 0
Komplexität: 124

Experimentelle und physikochemische Eigenschaften

DrugsPharmaceuticals -> Listed in ZINC15

Physikochemische Eigenschaften

Schmelzpunkt: 64 · 64-66 °C (lit.)
Siedepunkt: 287.25 °C · 287.25°C (rough estimate)
Dichte: 0.9725 · 0.9725 (rough estimate)
Brechungsindex: 1.6011 · 1.6011 (estimate)
storage temp.: -20 °C · -20°C
Löslichkeit: Chloroform (Slightly), Methanol (Slightly)
Aggregatzustand: Crystalline Solid
pka: 10.31 · 10.31±0.10(Predicted)
Farbe: Light yellow to yellow-brown
InChI: InChI=1S/C10H20N2/c1-2-8-12(9-3-1)10-4-6-11-7-5-10/h10-11H,1-9H2
InChIKey: QDVBKXJMLILLLB-UHFFFAOYSA-N
SMILES: N1(C2CCNCC2)CCCCC1
CAS Datenbank: 4897 · 4897-50-1(CAS DataBase Reference)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

Danger

H314 (11.5%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]

P260, P261, P264, P264+P265, P271, P280, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P351+P338, P305+P354+P338, P316, P319, P321, P332+P317, P337+P317, P362+P364, P363, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 52 reports by companies from 10 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Gefahrenhinweise

Hazard Classes and CategoriesSkin Corr. 1B (11.5%)

Sicherheitsdaten

wgk: 3
hs_code: 29339900
risk_code: 36/37/38
hazard_code: Xi
safety_code: 26-36-24/25
hazard_class: 8
Speicherklasse: 11 - Combustible Solids
Hazard Classifications: Eye Irrit. 2Skin Irrit. 2STOT SE 3

Chemie und Industrie

Anwendungen

VerwendenReactant for synthesis of: Arylthiadiazole H3 antagonists1 Water-soluble N-mustards as anticancer agents2 Antitubercular drugs3 Vasopressin1b receptor antagonists4 MDR modulators5 Selective Norepinephrine transporter inhibitors6