N-cyclopropyl-1-propylpiperidin-4-amine

• ChemBase ID: 10232
• Molecular Formular: C11H22N2
• Molecular Mass: 182.30578
• Monoisotopic Mass: 182.17829871
• SMILES: C1C(CCN(C1)CCC)NC1CC1
• Canonical SMILES: CCCN1CCC(CC1)NC1CC1
• InChI: InChI=1S/C11H22N2/c1-2-7-13-8-5-11(6-9-13)12-10-3-4-10/h10-12H,2-9H2,1H3
• InChIKey: IOZJJKNYYROPTK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-cyclopropyl-1-propylpiperidin-4-amine
• IUPAC Traditional name: N-cyclopropyl-1-propylpiperidin-4-amine
• Synonyms: 1-Propyl-4-cyclopropylaminopiperidine; 1-n-Propyl-4-cyclopropylaminopiperidine

Database IDs

• CAS Number: 387358-45-4
• MDL Number: MFCD01941332
• PubChem SID: 160973539
• PubChem CID: 2737226

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -4.327762
• LogD (pH = 7.4): -2.1721435
• Log P: 1.1788225
• Molar Refractivity: 56.6283 cm^3
• Polarizability: 22.610828 Å^3
• Polar Surface Area: 15.27 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 80°C/1.5mm; 80°C/2mm

Safety Information

• Storage Warning: Irritant
• TSCA Listed: false