1-(cyclopropylmethyl)piperidin-4-amine

• ChemBase ID: 260414
• Molecular Formular: C9H18N2
• Molecular Mass: 154.25262
• Monoisotopic Mass: 154.14699859
• SMILES: N1(CC2CC2)CCC(CC1)N
• Canonical SMILES: NC1CCN(CC1)CC1CC1
• InChI: InChI=1S/C9H18N2/c10-9-3-5-11(6-4-9)7-8-1-2-8/h8-9H,1-7,10H2
• InChIKey: SIKNYOSYSBEMJG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(cyclopropylmethyl)piperidin-4-amine
• IUPAC Traditional name: 1-(cyclopropylmethyl)piperidin-4-amine
• Synonyms: 1-(cyclopropylmethyl)piperidin-4-amine

Database IDs

• MDL Number: MFCD09931129
• PubChem SID: 164316324
• PubChem CID: 17221624

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -5.959395
• LogD (pH = 7.4): -4.0276074
• Log P: 0.18192454
• Molar Refractivity: 47.3119 cm^3
• Polarizability: 18.918522 Å^3
• Polar Surface Area: 29.26 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.197

Product Information

• Purity: 95%