4-(piperidin-4-yl)piperidine

• ChemBase ID: 34145
• Molecular Formular: C10H20N2
• Molecular Mass: 168.2792
• Monoisotopic Mass: 168.16264865
• SMILES: N1CCC(CC1)C1CCNCC1
• Canonical SMILES: N1CCC(CC1)C1CCNCC1
• InChI: InChI=1S/C10H20N2/c1-5-11-6-2-9(1)10-3-7-12-8-4-10/h9-12H,1-8H2
• InChIKey: PRNRUOJLUPUJDN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-(piperidin-4-yl)piperidine
• IUPAC Traditional name: 4-(piperidin-4-yl)piperidine
• Synonyms: 4,4'-Bipiperidine; 4,4′-Bipiperidine; 4,4′-二哌啶

Database IDs

• CAS Number: 15336-72-8
• MDL Number: MFCD01104315
• PubChem SID: 160997452
• PubChem CID: 736050

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

• Melting Point: 170-172 °C

Safety Information

• Storage Warning: IRRITANT
• European Hazard Symbols: Irritant (Xi)
• German water hazard class: 1
• Risk Statements: 41
• Safety Statements: 26-39
• TSCA Listed: false
• GHS Pictograms: GHS05
• GHS Signal Word: Danger
• GHS Hazard statements: H318
• GHS Precautionary statements: P280-P305 + P351 + P338
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Gloves

Product Information

• Purity: 96%
• Empirical Formula (Hill Notation): C10H20N2

DETAILS

Sigma Aldrich - 705845

Packaging
1 g in glass bottle