2-(4-benzylpiperidin-1-yl)ethan-1-amine

• ChemBase ID: 24826
• Molecular Formular: C14H22N2
• Molecular Mass: 218.33788
• Monoisotopic Mass: 218.17829871
• SMILES: N1(CCC(Cc2ccccc2)CC1)CCN
• Canonical SMILES: NCCN1CCC(CC1)Cc1ccccc1
• InChI: InChI=1S/C14H22N2/c15-8-11-16-9-6-14(7-10-16)12-13-4-2-1-3-5-13/h1-5,14H,6-12,15H2
• InChIKey: PCNDXYHWLSHXMV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(4-benzylpiperidin-1-yl)ethan-1-amine
• IUPAC Traditional name: 2-(4-benzylpiperidin-1-yl)ethanamine
• Synonyms: 2-(4-benzylpiperidino)-1-ethanamine; 2-(4-Benzylpiperidin-1-yl)ethanamine; 1-(2-Aminoethyl)-4-benzylpiperidine, {[1-(2-Aminoethyl)piperidin-4-yl]methyl}benzene; 2-(4-Benzylpiperidin-1-yl)ethylamine

Database IDs

• CAS Number: 25842-32-4
• MDL Number: MFCD03659719
• PubChem SID: 160988133
• PubChem CID: 2779831

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -2.5000794
• LogD (pH = 7.4): -0.22231884
• Log P: 2.1089435
• Molar Refractivity: 69.3245 cm^3
• Polarizability: 27.369827 Å^3
• Polar Surface Area: 29.26 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 130-131°C/3mm

Safety Information

• Storage Warning: Corrosive; IRRITANT
• TSCA Listed: false

Product Information

• Purity: 97%