4-[3-(piperidin-4-yl)propyl]piperidine

• ChemBase ID: 52417
• Molecular Formular: C13H26N2
• Molecular Mass: 210.35894
• Monoisotopic Mass: 210.20959884
• SMILES: C(CCC1CCNCC1)C1CCNCC1
• Canonical SMILES: C(CC1CCNCC1)CC1CCNCC1
• InChI: InChI=1S/C13H26N2/c1(2-12-4-8-14-9-5-12)3-13-6-10-15-11-7-13/h12-15H,1-11H2
• InChIKey: OXEZLYIDQPBCBB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-[3-(piperidin-4-yl)propyl]piperidine
• IUPAC Traditional name: 4-[3-(piperidin-4-yl)propyl]piperidine
• Synonyms: 1,3-Bis(4-piperidyl)propane; 4,4'-(1,3-Propanediyl)bispiperidine; 4,4'-Trimethylenedipiperidine; 1,3-Bis(4-piperidinyl)propane; 1,3-bis-4-PIPERIDYL PROPANE; 1,3-Bis(4-piperidyl)propane; 1,3-Di-4-piperidylpropane; 4,4′-Trimethylenedipiperidine; 1,3-Di(4-piperidyl)propane; 4-[3-(4-piperidyl)propyl]piperidine; 4-[3-(piperidin-4-yl)propyl]piperidine; 1,3-二(4-哌啶)丙烷; 4,4′-三亚甲基二哌啶

Database IDs

• CAS Number: 16898-52-5
• EC Number: 240-941-6
• MDL Number: MFCD00038013
• Beilstein Number: 111615
• PubChem SID: 162057180; 24847452
• PubChem CID: 85631

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -4.593321
• LogD (pH = 7.4): -3.6806886
• Log P: 1.8698562
• Molar Refractivity: 65.5668 cm^3
• Polarizability: 26.303617 Å^3
• Polar Surface Area: 24.06 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 63-68°C; 65-68.5 °C(lit.); 66 - 68°C; 66°C
• Boiling Point: 327°C
• Flash Point: >110°C(230°F)
• Hydrophobicity(logP): 2.743

Safety Information

• Storage Warning: Hygroscopic; IRRITANT
• European Hazard Symbols: X; Irritant (Xi)
• German water hazard class: 3
• Risk Statements: 22-37/38-41; 36/37/38
• Safety Statements: 26-36/37/39; 26-37/39
• TSCA Listed: false; 是
• GHS Pictograms: GHS05; GHS06; GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H301-H315-H335-H318; H315-H319-H335
• GHS Precautionary statements: P261-P301+P310-P305+P351+P338-P302+P352-P405-P501A; P261-P305 + P351 + P338
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Gloves

Product Information

• Purity: 95%; 97%; 97+%
• Empirical Formula (Hill Notation): C13H26N2

DETAILS

MP Biomedicals - 05222935

MP Biomedicals Rare Chemical collection

Sigma Aldrich - 121207

Packaging
100, 500 g in poly bottle
Application
Reactant for synthesis of:
• Tumoral pH-responsive polymeric micelles1
• Acetal modified dextran microparticles2
• Hydrogels3
• Functionalized tetrazoles4
• Anticonvulsant agents5