ethyl[3-(piperidin-1-yl)propyl]amine

• ChemBase ID: 24432
• Molecular Formular: C10H22N2
• Molecular Mass: 170.29508
• Monoisotopic Mass: 170.17829871
• SMILES: N1(CCCNCC)CCCCC1
• Canonical SMILES: CCNCCCN1CCCCC1
• InChI: InChI=1S/C10H22N2/c1-2-11-7-6-10-12-8-4-3-5-9-12/h11H,2-10H2,1H3
• InChIKey: CKXMWBUYZGXMHR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: ethyl[3-(piperidin-1-yl)propyl]amine
• IUPAC Traditional name: ethyl[3-(piperidin-1-yl)propyl]amine
• Synonyms: N-Ethyl-3-(1-piperidinyl)-1-propanamine

Database IDs

• MDL Number: MFCD09035684
• PubChem SID: 160987739
• PubChem CID: 11789654

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -4.7800756
• LogD (pH = 7.4): -2.6937428
• Log P: 1.0928999
• Molar Refractivity: 54.4685 cm^3
• Polarizability: 21.50448 Å^3
• Polar Surface Area: 15.27 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false