2-(piperidin-1-yl)pyridine

• ChemBase ID: 134593
• Molecular Formular: C10H14N2
• Molecular Mass: 162.23156
• Monoisotopic Mass: 162.11569846
• SMILES: c1ccnc(c1)N1CCCCC1
• Canonical SMILES: C1CCN(CC1)c1ccccn1
• InChI: InChI=1S/C10H14N2/c1-4-8-12(9-5-1)10-6-2-3-7-11-10/h2-3,6-7H,1,4-5,8-9H2
• InChIKey: AJEUJXWLOADTKA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(piperidin-1-yl)pyridine
• IUPAC Traditional name: 2-(piperidin-1-yl)pyridine
• Synonyms: 2-Piperidinopyridine; 2-哌啶基吡啶

Database IDs

• CAS Number: 68654-52-4
• MDL Number: MFCD00973146
• PubChem SID: 162228869; 24881353
• PubChem CID: 817759

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 1.4234296
• LogD (pH = 7.4): 2.2640057
• Log P: 2.308441
• Molar Refractivity: 50.7852 cm^3
• Polarizability: 19.055405 Å^3
• Polar Surface Area: 16.13 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 135-138 °C/20 mmHg(lit.)
• Flash Point: >110 °C; >230 °F
• Density: 1.044 g/mL at 25 °C(lit.)

Safety Information

• European Hazard Symbols: Irritant (Xi)
• German water hazard class: 3
• Risk Statements: 36
• Safety Statements: 26-36
• GHS Pictograms: GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H319
• GHS Precautionary statements: P305 + P351 + P338
• Personal Protective Equipment: Eyeshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter

Product Information

• Purity: 97%
• Empirical Formula (Hill Notation): C10H14N2

DETAILS

Sigma Aldrich - 591726

Packaging
5 g in glass bottle