(3S,4S)-4-(piperidin-1-yl)pyrrolidin-3-ol

• ChemBase ID: 308614
• Molecular Formular: C9H18N2O
• Molecular Mass: 170.25202
• Monoisotopic Mass: 170.14191321
• SMILES: N1([C@@H]2[C@H](CNC2)O)CCCCC1
• Canonical SMILES: O[C@H]1CNC[C@@H]1N1CCCCC1
• InChI: InChI=1S/C9H18N2O/c12-9-7-10-6-8(9)11-4-2-1-3-5-11/h8-10,12H,1-7H2/t8-,9-/m0/s1
• InChIKey: PPWZAEGLDMHZFI-IUCAKERBSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (3S,4S)-4-(piperidin-1-yl)pyrrolidin-3-ol
• IUPAC Traditional name: (3S,4S)-4-(piperidin-1-yl)pyrrolidin-3-ol
• Synonyms: trans-4-(1-piperidinyl)-3-pyrrolidinol

Database IDs

• CAS Number: 1018443-35-0
• MDL Number: MFCD11505305

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -3.4905658
• LogD (pH = 7.4): -2.6634612
• Log P: -0.06596063
• Molar Refractivity: 48.5182 cm^3
• Polarizability: 19.520456 Å^3
• Polar Surface Area: 35.5 Å^2