dimethyl[2-(piperidin-3-yloxy)ethyl]amine

• ChemBase ID: 276685
• Molecular Formular: C9H20N2O
• Molecular Mass: 172.2679
• Monoisotopic Mass: 172.15756327
• SMILES: N1CC(OCCN(C)C)CCC1
• Canonical SMILES: CN(CCOC1CCCNC1)C
• InChI: InChI=1S/C9H20N2O/c1-11(2)6-7-12-9-4-3-5-10-8-9/h9-10H,3-8H2,1-2H3
• InChIKey: NGUBMOCEKSVMNB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: dimethyl[2-(piperidin-3-yloxy)ethyl]amine
• IUPAC Traditional name: dimethyl[2-(piperidin-3-yloxy)ethyl]amine
• Synonyms: dimethyl[2-(piperidin-3-yloxy)ethyl]amine

Database IDs

• MDL Number: MFCD11147511
• PubChem SID: 164332595
• PubChem CID: 43196802

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -6.074944
• LogD (pH = 7.4): -3.4365392
• Log P: 0.24435508
• Molar Refractivity: 50.9672 cm^3
• Polarizability: 20.324642 Å^3
• Polar Surface Area: 24.5 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.663

Product Information

• Purity: 95%