1-[2-(dimethylamino)ethyl]piperidin-4-amine

• ChemBase ID: 256912
• Molecular Formular: C9H21N3
• Molecular Mass: 171.28314
• Monoisotopic Mass: 171.17354769
• SMILES: N1(CCC(CC1)N)CCN(C)C
• Canonical SMILES: NC1CCN(CC1)CCN(C)C
• InChI: InChI=1S/C9H21N3/c1-11(2)7-8-12-5-3-9(10)4-6-12/h9H,3-8,10H2,1-2H3
• InChIKey: AZYRNUFWKGIZLZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-[2-(dimethylamino)ethyl]piperidin-4-amine
• IUPAC Traditional name: 1-[2-(dimethylamino)ethyl]piperidin-4-amine
• Synonyms: 1-[2-(dimethylamino)ethyl]piperidin-4-amine; 1-[2-(dimethylamino)ethyl]-4-piperidinamine

Database IDs

• CAS Number: 926219-84-3
• MDL Number: MFCD09048639
• PubChem SID: 164312822
• PubChem CID: 16776189

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -6.897628
• LogD (pH = 7.4): -5.0231795
• Log P: -0.5800082
• Molar Refractivity: 53.389 cm^3
• Polarizability: 21.17821 Å^3
• Polar Surface Area: 32.5 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): -0.231

Product Information

• Purity: 95%