1-cyclopropylpiperidin-4-amine

• ChemBase ID: 87929
• Molecular Formular: C8H16N2
• Molecular Mass: 140.22604
• Monoisotopic Mass: 140.13134852
• SMILES: N1(C2CC2)CCC(CC1)N
• Canonical SMILES: NC1CCN(CC1)C1CC1
• InChI: InChI=1S/C8H16N2/c9-7-3-5-10(6-4-7)8-1-2-8/h7-8H,1-6,9H2
• InChIKey: XQRNOQYMHPJDCY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-cyclopropylpiperidin-4-amine
• IUPAC Traditional name: 1-cyclopropylpiperidin-4-amine
• Synonyms: 1-Cyclopropylpiperidin-4-amine; 4-Amino-1-cyclopropylpiperidine; 1-cyclopropylpiperidin-4-amine

Database IDs

• CAS Number: 62813-02-9
• MDL Number: MFCD07374388
• PubChem SID: 162074969
• PubChem CID: 16227644

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -5.919547
• LogD (pH = 7.4): -3.847674
• Log P: -0.1330882
• Molar Refractivity: 42.5811 cm^3
• Polarizability: 17.072641 Å^3
• Polar Surface Area: 29.26 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): -0.512

Safety Information

• Storage Warning: Irritant

Product Information

• Purity: 95%; 98%