1-(piperidine-1-carbonyl)piperidine

• ChemBase ID: 150951
• Molecular Formular: C11H20N2O
• Molecular Mass: 196.2893
• Monoisotopic Mass: 196.15756327
• SMILES: C1CCN(CC1)C(=O)N1CCCCC1
• Canonical SMILES: O=C(N1CCCCC1)N1CCCCC1
• InChI: InChI=1S/C11H20N2O/c14-11(12-7-3-1-4-8-12)13-9-5-2-6-10-13/h1-10H2
• InChIKey: SNOJOKOVTYPHMC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(piperidine-1-carbonyl)piperidine
• IUPAC Traditional name: piperidine, 1,1'-carbonyldi-
• Synonyms: Bis(1-piperidyl) ketone; Di-1-piperidinyl-methanone; Bis(pentamethylene)urea; 1,1′-Carbonyldipiperidine; 1,1'-Carbonyldipiperidine; 双五亚甲基尿素; 1,1′-羰基二哌啶; 1,1'-羰基二哌啶

Database IDs

• CAS Number: 5395-04-0
• EC Number: 226-407-5
• MDL Number: MFCD00006482
• Beilstein Number: 144183
• PubChem SID: 24891806; 162245110
• PubChem CID: 21493

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 1.2316021
• LogD (pH = 7.4): 1.2316027
• Log P: 1.2316027
• Molar Refractivity: 57.0134 cm^3
• Polarizability: 21.877201 Å^3
• Polar Surface Area: 23.55 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 43-46°C; 44-47 °C(lit.)
• Boiling Point: 296-298 °C(lit.); 296-298°C
• Flash Point: 113 °C; 235.4 °F

Safety Information

• RTECS: TM5950000
• European Hazard Symbols: Irritant (Xi); Harmful (Xn)
• German water hazard class: 3
• Risk Statements: 22; 36/37/38
• Safety Statements: 26-37
• TSCA Listed: 否
• GHS Pictograms: GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H302-H319; H315-H319-H335
• GHS Precautionary statements: P261-P305+P351+P338-P302+P352-P321-P405-P501A; P305 + P351 + P338

Product Information

• Purity: 97%; 99%
• Empirical Formula (Hill Notation): C11H20N2O

DETAILS

Sigma Aldrich - B50457

Packaging
5 g in glass bottle
Application
Reactant for synthesis of:
• Bis(guanidine) ligands for tuning of copper(I) dioxygen reactivity1
• Diaminocarbene- and Fischer-carbene complexes of palladium and nickel by oxidative insertion2
• Neodymium and europium complexes with amides and cyclic aminoxides3
• Bis(pentamethylene)urea complexes of lanthanide nitrates4
• Europium complexes for luminescence studies5
• Tetra(amino)methanes6