1-cyclopropanecarbonyl-3-methylpiperidin-4-amine

• ChemBase ID: 284494
• Molecular Formular: C10H18N2O
• Molecular Mass: 182.26272
• Monoisotopic Mass: 182.14191321
• SMILES: N1(C(=O)C2CC2)CC(C(CC1)N)C
• Canonical SMILES: NC1CCN(CC1C)C(=O)C1CC1
• InChI: InChI=1S/C10H18N2O/c1-7-6-12(5-4-9(7)11)10(13)8-2-3-8/h7-9H,2-6,11H2,1H3
• InChIKey: QKXUJCFQMFMUBY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-cyclopropanecarbonyl-3-methylpiperidin-4-amine
• IUPAC Traditional name: 1-cyclopropanecarbonyl-3-methylpiperidin-4-amine
• Synonyms: 1-cyclopropanecarbonyl-3-methylpiperidin-4-amine

Database IDs

• MDL Number: MFCD22370006
• PubChem SID: 180670025
• PubChem CID: 72124258

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -3.1319814
• LogD (pH = 7.4): -2.5950267
• Log P: -0.112638615
• Molar Refractivity: 51.4567 cm^3
• Polarizability: 20.424976 Å^3
• Polar Surface Area: 46.33 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): -0.903

Product Information

• Purity: 95%