1-(4-aminopiperidin-1-yl)-3-methoxypropan-1-one

• ChemBase ID: 240411
• Molecular Formular: C9H18N2O2
• Molecular Mass: 186.25142
• Monoisotopic Mass: 186.13682783
• SMILES: N1(C(=O)CCOC)CCC(CC1)N
• Canonical SMILES: COCCC(=O)N1CCC(CC1)N
• InChI: InChI=1S/C9H18N2O2/c1-13-7-4-9(12)11-5-2-8(10)3-6-11/h8H,2-7,10H2,1H3
• InChIKey: UQLJENSAJMUUJW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(4-aminopiperidin-1-yl)-3-methoxypropan-1-one
• IUPAC Traditional name: 1-(4-aminopiperidin-1-yl)-3-methoxypropan-1-one
• Synonyms: 1-(4-aminopiperidin-1-yl)-3-methoxypropan-1-one

Database IDs

• MDL Number: MFCD11939046
• PubChem SID: 164296321
• PubChem CID: 62590206

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -4.326694
• LogD (pH = 7.4): -3.7577603
• Log P: -1.3088672
• Molar Refractivity: 50.7939 cm^3
• Polarizability: 20.017399 Å^3
• Polar Surface Area: 55.56 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): -1.339

Product Information

• Purity: 95%