1-(2-aminoethyl)-N,N-dimethylpiperidin-4-amine

• ChemBase ID: 286556
• Molecular Formular: C9H21N3
• Molecular Mass: 171.28314
• Monoisotopic Mass: 171.17354769
• SMILES: N1(CCC(CC1)N(C)C)CCN
• Canonical SMILES: NCCN1CCC(CC1)N(C)C
• InChI: InChI=1S/C9H21N3/c1-11(2)9-3-6-12(7-4-9)8-5-10/h9H,3-8,10H2,1-2H3
• InChIKey: XYIUIYHRNFXKQF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(2-aminoethyl)-N,N-dimethylpiperidin-4-amine
• IUPAC Traditional name: 1-(2-aminoethyl)-N,N-dimethylpiperidin-4-amine
• Synonyms: 1-(2-aminoethyl)-N,N-dimethylpiperidin-4-amine

Database IDs

• MDL Number: MFCD12143426
• PubChem SID: 180672087
• PubChem CID: 18621161

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -7.0867248
• LogD (pH = 7.4): -5.1401806
• 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): -0.553

Product Information

• Purity: 95%