2-[1-(cyclopropylmethyl)piperazin-2-yl]ethan-1-ol

• ChemBase ID: 307548
• Molecular Formular: C10H20N2O
• Molecular Mass: 184.2786
• Monoisotopic Mass: 184.15756327
• SMILES: N1(CC2CC2)C(CCO)CNCC1
• Canonical SMILES: OCCC1CNCCN1CC1CC1
• InChI: InChI=1S/C10H20N2O/c13-6-3-10-7-11-4-5-12(10)8-9-1-2-9/h9-11,13H,1-8H2
• InChIKey: NXHYTVUPOMUDNV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-[1-(cyclopropylmethyl)piperazin-2-yl]ethan-1-ol
• IUPAC Traditional name: 2-[1-(cyclopropylmethyl)piperazin-2-yl]ethanol
• Synonyms: 2-[1-(cyclopropylmethyl)piperazin-2-yl]ethanol

Database IDs

• CAS Number: 1049750-09-5
• MDL Number: MFCD08691608

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -3.5141137
• LogD (pH = 7.4): -2.4307392
• Log P: -0.13555682
• Molar Refractivity: 53.5134 cm^3
• Polarizability: 21.362965 Å^3
• Polar Surface Area: 35.5 Å^2