[1-(pyrrolidin-2-ylmethyl)pyrrolidin-2-yl]methanol

• ChemBase ID: 285806
• Molecular Formular: C10H20N2O
• Molecular Mass: 184.2786
• Monoisotopic Mass: 184.15756327
• SMILES: N1(CC2NCCC2)C(CO)CCC1
• Canonical SMILES: OCC1CCCN1CC1CCCN1
• InChI: InChI=1S/C10H20N2O/c13-8-10-4-2-6-12(10)7-9-3-1-5-11-9/h9-11,13H,1-8H2
• InChIKey: WQFNLMMCEOJFQE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [1-(pyrrolidin-2-ylmethyl)pyrrolidin-2-yl]methanol
• IUPAC Traditional name: [1-(pyrrolidin-2-ylmethyl)pyrrolidin-2-yl]methanol
• Synonyms: [1-(pyrrolidin-2-ylmethyl)pyrrolidin-2-yl]methanol

Database IDs

• MDL Number: MFCD22056472
• PubChem SID: 180671337
• PubChem CID: 73822437

CALCULATED PROPERTIES

• Acid pKa: 15.112609
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -4.9680758
• LogD (pH = 7.4): -3.2516148
• Log P: 0.066793114
• Molar Refractivity: 53.4272 cm^3
• Polarizability: 21.362965 Å^3
• Polar Surface Area: 35.5 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.178

Product Information

• Purity: 95%