{1-[2-(dimethylamino)ethyl]piperidin-4-yl}methanamine

• ChemBase ID: 263481
• Molecular Formular: C10H23N3
• Molecular Mass: 185.30972
• Monoisotopic Mass: 185.18919775
• SMILES: N1(CCN(C)C)CCC(CC1)CN
• Canonical SMILES: NCC1CCN(CC1)CCN(C)C
• InChI: InChI=1S/C10H23N3/c1-12(2)7-8-13-5-3-10(9-11)4-6-13/h10H,3-9,11H2,1-2H3
• InChIKey: DWNORVYKHXAOKK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: {1-[2-(dimethylamino)ethyl]piperidin-4-yl}methanamine
• IUPAC Traditional name: {1-[2-(dimethylamino)ethyl]piperidin-4-yl}methanamine
• Synonyms: {1-[2-(dimethylamino)ethyl]piperidin-4-yl}methanamine

Database IDs

• MDL Number: MFCD11131485
• PubChem SID: 164319391
• PubChem CID: 28397654

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -6.971172
• LogD (pH = 7.4): -5.1149726
• Log P: -0.11940747
• Molar Refractivity: 58.207 cm^3
• Polarizability: 23.024387 Å^3
• Polar Surface Area: 32.5 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.388

Product Information

• Purity: 95%