dimethyl[2-(piperidin-4-yloxy)ethyl]amine

• ChemBase ID: 273645
• Molecular Formular: C9H20N2O
• Molecular Mass: 172.2679
• Monoisotopic Mass: 172.15756327
• SMILES: N1CCC(CC1)OCCN(C)C
• Canonical SMILES: CN(CCOC1CCNCC1)C
• InChI: InChI=1S/C9H20N2O/c1-11(2)7-8-12-9-3-5-10-6-4-9/h9-10H,3-8H2,1-2H3
• InChIKey: ORJPWJFJDSFGEY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: dimethyl[2-(piperidin-4-yloxy)ethyl]amine
• IUPAC Traditional name: dimethyl[2-(piperidin-4-yloxy)ethyl]amine
• Synonyms: dimethyl[2-(piperidin-4-yloxy)ethyl]amine; N,N-dimethyl-2-(4-piperidinyloxy)ethanamine

Database IDs

• CAS Number: 1342025-61-9
• MDL Number: MFCD11040531
• PubChem SID: 164329555
• PubChem CID: 43167826

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -6.562008
• LogD (pH = 7.4): -4.2235665
• Log P: -0.21304785
• Molar Refractivity: 51.188 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): -0.163

Product Information

• Purity: 95%