2-(4-aminopiperidin-1-yl)ethan-1-ol

• ChemBase ID: 271353
• Molecular Formular: C7H16N2O
• Molecular Mass: 144.21474
• Monoisotopic Mass: 144.12626314
• SMILES: N1(CCC(CC1)N)CCO
• Canonical SMILES: OCCN1CCC(CC1)N
• InChI: InChI=1S/C7H16N2O/c8-7-1-3-9(4-2-7)5-6-10/h7,10H,1-6,8H2
• InChIKey: NMWIFNPFFNFXPB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(4-aminopiperidin-1-yl)ethan-1-ol
• IUPAC Traditional name: 2-(4-aminopiperidin-1-yl)ethanol
• Synonyms: 2-(4-aminopiperidin-1-yl)ethan-1-ol; 2-(4-amino-1-piperidinyl)ethanol

Database IDs

• CAS Number: 89850-72-6
• MDL Number: MFCD08061829
• PubChem SID: 164327263
• PubChem CID: 15733445

CALCULATED PROPERTIES

• Acid pKa: 15.593258
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -6.7967567
• LogD (pH = 7.4): -4.719989
• Log P: -1.2887547
• Molar Refractivity: 41.6622 cm^3
• Polarizability: 16.56564 Å^3
• Polar Surface Area: 49.49 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): -1.312

Product Information

• Purity: 95%