4-(piperidin-4-yl)piperidine dihydrochloride

• ChemBase ID: 148401
• Molecular Formular: C10H22Cl2N2
• Molecular Mass: 241.20108
• Monoisotopic Mass: 240.11600407
• SMILES: C1CNCCC1C1CCNCC1.Cl.Cl
• Canonical SMILES: N1CCC(CC1)C1CCNCC1.Cl.Cl
• InChI: InChI=1S/C10H20N2.2ClH/c1-5-11-6-2-9(1)10-3-7-12-8-4-10;;/h9-12H,1-8H2;2*1H
• InChIKey: MQKBVVIPCLTENX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-(piperidin-4-yl)piperidine dihydrochloride
• IUPAC Traditional name: 4-(piperidin-4-yl)piperidine dihydrochloride
• Synonyms: 4,4′-Bipiperidine dihydrochloride; 4,4′-Bipiperidyl dihydrochloride; 4,4'-Bipiperidine dihydrochloride; 4,4′-二哌啶 二盐酸盐; 4,4′-联哌啶 二盐酸盐

Database IDs

• CAS Number: 78619-84-8
• EC Number: 278-958-6
• MDL Number: MFCD00005998
• Beilstein Number: 3687878
• PubChem SID: 24848651; 24850894; 162242577
• PubChem CID: 12270637

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -5.9269867
• LogD (pH = 7.4): -5.0132837
• Log P: 0.5361503
• Molar Refractivity: 51.7638 cm^3
• Polarizability: 20.7646 Å^3
• Polar Surface Area: 24.06 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Solubility: 1 M HCl: soluble25 mg/mL, clear
• Melting Point: >300 °C(lit.)

Safety Information

• German water hazard class: 3

Product Information

• Purity: ≥95.0% (AT); 97%
• Grade: purum
• Empirical Formula (Hill Notation): C10H20N2 · 2HCl

DETAILS

Sigma Aldrich - 180742

Packaging
5, 25 g in glass bottle
Application
Reactant for synthesis of: Isoreticular chemicals1 Heterocyclic amide hydraphile synthetic cation transporters2 Small molecules direct activators of Gi proteins3 Vesamicol4 Reactant for control of hydrogen bond network dimensionality in tetrachloroplatinate salts5

Sigma Aldrich - 14441

Application
Reactant for synthesis of: Isoreticular chemicals1 Heterocyclic amide hydraphile synthetic cation transporters2 Small molecules direct activators of Gi proteins3 Vesamicol4 Reactant for control of hydrogen bond network dimensionality in tetrachloroplatinate salts5