(1-cyclopropanecarbonylpiperidin-4-yl)methanamine

• ChemBase ID: 144076
• Molecular Formular: C10H18N2O
• Molecular Mass: 182.26272
• Monoisotopic Mass: 182.14191321
• SMILES: C1CC1C(=O)N1CCC(CC1)CN
• Canonical SMILES: NCC1CCN(CC1)C(=O)C1CC1
• InChI: InChI=1S/C10H18N2O/c11-7-8-3-5-12(6-4-8)10(13)9-1-2-9/h8-9H,1-7,11H2
• InChIKey: MCOASAUGLHDNGH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (1-cyclopropanecarbonylpiperidin-4-yl)methanamine
• IUPAC Traditional name: (1-cyclopropanecarbonylpiperidin-4-yl)methanamine
• Synonyms: 1-[1-(Cyclopropylcarbonyl)piperidin-4-yl]methanamine; 1-[1-(cyclopropylcarbonyl)piperidin-4-yl]methanamine

Database IDs

• CAS Number: 915922-83-7
• MDL Number: MFCD08059856
• PubChem SID: 162238293
• PubChem CID: 42546147

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -3.146927
• LogD (pH = 7.4): -2.5344384
• Log P: -0.13136142
• Molar Refractivity: 51.8583 cm^3
• Polarizability: 20.424976 Å^3
• Polar Surface Area: 46.33 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Empirical Formula (Hill Notation): C10H18N2O

DETAILS

Sigma Aldrich - CBR00474

Other Notes
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Legal Information
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