4-[2-(piperidin-4-yl)ethyl]piperidine dihydrochloride

• ChemBase ID: 146384
• Molecular Formular: C12H26Cl2N2
• Molecular Mass: 269.25424
• Monoisotopic Mass: 268.1473042
• SMILES: C1CNCCC1CCC1CCNCC1.Cl.Cl
• Canonical SMILES: N1CCC(CC1)CCC1CCNCC1.Cl.Cl
• InChI: InChI=1S/C12H24N2.2ClH/c1(11-3-7-13-8-4-11)2-12-5-9-14-10-6-12;;/h11-14H,1-10H2;2*1H
• InChIKey: SVLVVJXAINBYOI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-[2-(piperidin-4-yl)ethyl]piperidine dihydrochloride
• IUPAC Traditional name: 4-[2-(piperidin-4-yl)ethyl]piperidine dihydrochloride
• Synonyms: 4,4′-(1,2-Ethanydiyl)bis-piperidine dihydrochloride; 4,4′-Ethylenedipiperidine dihydrochloride; 4,4′-乙烯二哌啶 二盐酸盐

Database IDs

• CAS Number: 84473-84-7
• EC Number: 282-939-8
• MDL Number: MFCD00012774
• PubChem SID: 162240581; 24852824
• PubChem CID: 16211557

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -5.0378895
• LogD (pH = 7.4): -4.125257
• Log P: 1.4252876
• Molar Refractivity: 60.9658 cm^3
• Polarizability: 24.457176 Å^3
• Polar Surface Area: 24.06 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: >300 °C(lit.)

Safety Information

• European Hazard Symbols: Irritant (Xi)
• German water hazard class: 3
• Risk Statements: 37/38-41-51/53
• Safety Statements: 26-36/37/39-61
• GHS Pictograms: GHS05; GHS07
• GHS Signal Word: Danger
• GHS Hazard statements: H315-H318-H335
• GHS Precautionary statements: P261-P280-P305 + P351 + P338

Product Information

• Purity: 97%
• Empirical Formula (Hill Notation): C12H24N2 · 2HCl

DETAILS

Sigma Aldrich - 214140

Packaging
1 g in glass bottle
Application
Reactant for synthesis of: Bis-phenothiazinium photosensitizers1 Small molecules that directly activate Gi proteins2 Piperidinium hydroxide compounds3