N-cyclopropyl-N-methylpiperidin-4-amine

• ChemBase ID: 165273
• Molecular Formular: C9H18N2
• Molecular Mass: 154.25262
• Monoisotopic Mass: 154.14699859
• SMILES: N1CCC(CC1)N(C1CC1)C
• Canonical SMILES: CN(C1CC1)C1CCNCC1
• InChI: InChI=1S/C9H18N2/c1-11(8-2-3-8)9-4-6-10-7-5-9/h8-10H,2-7H2,1H3
• InChIKey: KYQRGPANQWPCDK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-cyclopropyl-N-methylpiperidin-4-amine
• IUPAC Traditional name: N-cyclopropyl-N-methylpiperidin-4-amine
• Synonyms: N-Cyclopropyl-N-methylpiperidine-4-amine Dihydrochloride; N-Cyclopropyl-N-methyl-4-piperidinamine Hydrochloride

Database IDs

• CAS Number: 1197237-40-3
• PubChem SID: 162259406
• PubChem CID: 45156797

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -5.5118074
• LogD (pH = 7.4): -3.3213046
• Log P: 0.29949218
• Molar Refractivity: 47.3557 cm^3
• Polarizability: 18.918522 Å^3
• Polar Surface Area: 15.27 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

DETAILS

Toronto Research Chemicals - C988770

Used in the preparation of 2-amido benzoic acid compounds as viral polymerase inhibitors.