1-benzyl-2,6-dimethylpiperidin-4-amine

• ChemBase ID: 275565
• Molecular Formular: C14H22N2
• Molecular Mass: 218.33788
• Monoisotopic Mass: 218.17829871
• SMILES: N1(C(CC(CC1C)N)C)Cc1ccccc1
• Canonical SMILES: CC1CC(N)CC(N1Cc1ccccc1)C
• InChI: InChI=1S/C14H22N2/c1-11-8-14(15)9-12(2)16(11)10-13-6-4-3-5-7-13/h3-7,11-12,14H,8-10,15H2,1-2H3
• InChIKey: VVQHCVRZYPYZNW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-benzyl-2,6-dimethylpiperidin-4-amine
• IUPAC Traditional name: 1-benzyl-2,6-dimethylpiperidin-4-amine
• Synonyms: 1-benzyl-2,6-dimethylpiperidin-4-amine

Database IDs

• MDL Number: MFCD19381890
• PubChem SID: 164331475
• PubChem CID: 15714116

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -4.05449
• LogD (pH = 7.4): -2.0385294
• Log P: 1.9589704
• Molar Refractivity: 68.8201 cm^3
• Polarizability: 27.447319 Å^3
• Polar Surface Area: 29.26 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.22

Product Information

• Purity: 95%