1-[2-(pyrrolidin-3-yloxy)ethyl]piperidine dihydrochloride

• ChemBase ID: 237953
• Molecular Formular: C11H24Cl2N2O
• Molecular Mass: 271.22706
• Monoisotopic Mass: 270.12656876
• SMILES: N1(CCOC2CCNC2)CCCCC1.Cl.Cl
• Canonical SMILES: C1CCN(CC1)CCOC1CNCC1.Cl.Cl
• InChI: InChI=1S/C11H22N2O.2ClH/c1-2-6-13(7-3-1)8-9-14-11-4-5-12-10-11;;/h11-12H,1-10H2;2*1H
• InChIKey: ZECONZHMCLGYGE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-[2-(pyrrolidin-3-yloxy)ethyl]piperidine dihydrochloride
• IUPAC Traditional name: 1-[2-(pyrrolidin-3-yloxy)ethyl]piperidine dihydrochloride
• Synonyms: 1-[2-(pyrrolidin-3-yloxy)ethyl]piperidine dihydrochloride

Database IDs

• MDL Number: MFCD22375309
• PubChem SID: 164293863
• PubChem CID: 71756049

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -5.8207116
• LogD (pH = 7.4): -3.814827
• Log P: 0.57735854
• Molar Refractivity: 58.4646 cm^3
• Polarizability: 23.27968 Å^3
• Polar Surface Area: 24.5 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.171

Product Information

• Purity: 95%