[1-(2-aminoethyl)piperidin-4-yl]methanol

• ChemBase ID: 59165
• Molecular Formular: C8H18N2O
• Molecular Mass: 158.24132
• Monoisotopic Mass: 158.14191321
• SMILES: N1(CCC(CC1)CO)CCN
• Canonical SMILES: NCCN1CCC(CC1)CO
• InChI: InChI=1S/C8H18N2O/c9-3-6-10-4-1-8(7-11)2-5-10/h8,11H,1-7,9H2
• InChIKey: GSPGIVPZQUNHRX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [1-(2-aminoethyl)piperidin-4-yl]methanol
• IUPAC Traditional name: [1-(2-aminoethyl)piperidin-4-yl]methanol
• Synonyms: [1-(2-Aminoethyl)-4-piperidinyl]methanol; [1-(2-aminoethyl)-4-piperidinyl]methanol; [1-(2-Aminoethyl)piperidin-4-yl]methanol

Database IDs

• CAS Number: 129999-62-8
• MDL Number: MFCD09723205
• PubChem SID: 162063928
• PubChem CID: 19104142

CALCULATED PROPERTIES

• Acid pKa: 15.46719
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -5.2135243
• LogD (pH = 7.4): -3.018513
• Log P: -0.828154
• Molar Refractivity: 46.4802 cm^3
• Polarizability: 18.407972 Å^3
• Polar Surface Area: 49.49 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): -0.585

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 95%
• Empirical Formula (Hill Notation): C8H18N2O

DETAILS

Sigma Aldrich - CBR00284

Other Notes
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Legal Information
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