1-(3-aminopropyl)piperidin-3-ol

• ChemBase ID: 19209
• Molecular Formular: C8H18N2O
• Molecular Mass: 158.24132
• Monoisotopic Mass: 158.14191321
• SMILES: N1(CC(O)CCC1)CCCN
• Canonical SMILES: NCCCN1CCCC(C1)O
• InChI: InChI=1S/C8H18N2O/c9-4-2-6-10-5-1-3-8(11)7-10/h8,11H,1-7,9H2
• InChIKey: RLDCHEDVXUZUMM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(3-aminopropyl)piperidin-3-ol
• IUPAC Traditional name: 1-(3-aminopropyl)piperidin-3-ol
• Synonyms: 1-(3-Amino-propyl)-piperidin-3-ol; 1-(3-aminopropyl)piperidin-3-ol

Database IDs

• MDL Number: MFCD06408766
• PubChem SID: 160982516
• PubChem CID: 4712469

CALCULATED PROPERTIES

• LogD (pH = 7.4): -4.4863443
• Log P: -0.7713921
• Molar Refractivity: 46.3068 cm^3
• Polarizability: 18.407972 Å^3
• Polar Surface Area: 49.49 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true
• Acid pKa: 14.886569
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -6.6529984

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false