1-(3-methoxypropyl)piperidin-4-amine

• ChemBase ID: 268650
• Molecular Formular: C9H20N2O
• Molecular Mass: 172.2679
• Monoisotopic Mass: 172.15756327
• SMILES: N1(CCC(CC1)N)CCCOC
• Canonical SMILES: COCCCN1CCC(CC1)N
• InChI: InChI=1S/C9H20N2O/c1-12-8-2-5-11-6-3-9(10)4-7-11/h9H,2-8,10H2,1H3
• InChIKey: HIXAJGFVNMKLML-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(3-methoxypropyl)piperidin-4-amine
• IUPAC Traditional name: 1-(3-methoxypropyl)piperidin-4-amine
• Synonyms: 1-(3-methoxypropyl)piperidin-4-amine

Database IDs

• MDL Number: MFCD11104531
• PubChem SID: 164324560
• PubChem CID: 12088093

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -6.455805
• LogD (pH = 7.4): -4.398987
• Log P: -0.5856685
• Molar Refractivity: 51.2788 cm^3
• Polarizability: 20.324642 Å^3
• Polar Surface Area: 38.49 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): -0.216

Product Information

• Purity: 95%