1-cyclopropanecarbonylpiperidin-4-amine

• ChemBase ID: 17559
• Molecular Formular: C9H16N2O
• Molecular Mass: 168.23614
• Monoisotopic Mass: 168.12626314
• SMILES: C(=O)(N1CCC(CC1)N)C1CC1
• Canonical SMILES: NC1CCN(CC1)C(=O)C1CC1
• InChI: InChI=1S/C9H16N2O/c10-8-3-5-11(6-4-8)9(12)7-1-2-7/h7-8H,1-6,10H2
• InChIKey: GCYSQXZPDQBVCH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-cyclopropanecarbonylpiperidin-4-amine
• IUPAC Traditional name: 1-cyclopropanecarbonylpiperidin-4-amine
• Synonyms: (4-Amino-piperidin-1-yl)-cyclopropyl-methanone; 1-(cyclopropylcarbonyl)-4-piperidinamine; 1-(cyclopropylcarbonyl)piperidin-4-amine

Database IDs

• CAS Number: 883106-47-6
• MDL Number: MFCD07186465
• PubChem SID: 160980866
• PubChem CID: 3163331

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -3.6097891
• LogD (pH = 7.4): -3.0408552
• Log P: -0.59196216
• Molar Refractivity: 47.0403 cm^3
• Polarizability: 18.585028 Å^3
• Polar Surface Area: 46.33 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 53 - 55°C
• Hydrophobicity(logP): -1.652

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 95%