2-phenyl-2-(piperidin-1-yl)ethan-1-amine

• ChemBase ID: 30601
• Molecular Formular: C13H20N2
• Molecular Mass: 204.3113
• Monoisotopic Mass: 204.16264865
• SMILES: N1(C(c2ccccc2)CN)CCCCC1
• Canonical SMILES: NCC(c1ccccc1)N1CCCCC1
• InChI: InChI=1S/C13H20N2/c14-11-13(12-7-3-1-4-8-12)15-9-5-2-6-10-15/h1,3-4,7-8,13H,2,5-6,9-11,14H2
• InChIKey: BZSQHIHHSWIKKO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-phenyl-2-(piperidin-1-yl)ethan-1-amine
• IUPAC Traditional name: 2-phenyl-2-(piperidin-1-yl)ethanamine
• Synonyms: (2-phenyl-2-piperidin-1-ylethyl)amine; 2-Phenyl-2-piperidin-1-yl-ethylamine

Database IDs

• CAS Number: 5815-73-6
• MDL Number: MFCD08361865
• PubChem SID: 160993908
• PubChem CID: 12447268

CALCULATED PROPERTIES

• LogD (pH = 7.4): -0.17255083
• Log P: 2.027792
• Molar Refractivity: 64.3627 cm^3
• Polarizability: 25.599628 Å^3
• Polar Surface Area: 29.26 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -2.4617538

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false