4-[2-(pyrrolidin-1-yl)ethoxy]piperidine

• ChemBase ID: 285294
• Molecular Formular: C11H22N2O
• Molecular Mass: 198.30518
• Monoisotopic Mass: 198.17321333
• SMILES: N1(CCOC2CCNCC2)CCCC1
• Canonical SMILES: N1CCC(CC1)OCCN1CCCC1
• InChI: InChI=1S/C11H22N2O/c1-2-8-13(7-1)9-10-14-11-3-5-12-6-4-11/h11-12H,1-10H2
• InChIKey: IMQRZUQNVVBHHS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-[2-(pyrrolidin-1-yl)ethoxy]piperidine
• IUPAC Traditional name: 4-[2-(pyrrolidin-1-yl)ethoxy]piperidine
• Synonyms: 4-[2-(pyrrolidin-1-yl)ethoxy]piperidine

Database IDs

• MDL Number: MFCD11644238
• PubChem SID: 180670825
• PubChem CID: 43167824

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -6.271123
• LogD (pH = 7.4): -4.0339513
• Log P: 0.19274962
• Molar Refractivity: 58.729 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): 0.346

Product Information

• Purity: 95%