3-(2,3-dihydro-1H-inden-5-yloxy)piperidine

• ChemBase ID: 20897
• Molecular Formular: C14H19NO
• Molecular Mass: 217.30676
• Monoisotopic Mass: 217.14666423
• SMILES: c12cc(OC3CNCCC3)ccc1CCC2
• Canonical SMILES: C1CCC(CN1)Oc1ccc2c(c1)CCC2
• InChI: InChI=1S/C14H19NO/c1-3-11-6-7-13(9-12(11)4-1)16-14-5-2-8-15-10-14/h6-7,9,14-15H,1-5,8,10H2
• InChIKey: AEHUQSSKSVUOQJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-(2,3-dihydro-1H-inden-5-yloxy)piperidine
• IUPAC Traditional name: 3-(2,3-dihydro-1H-inden-5-yloxy)piperidine
• Synonyms: 2,3-Dihydro-1H-inden-5-yl 3-piperidinyl ether

Database IDs

• MDL Number: MFCD08687599
• PubChem SID: 160984204
• PubChem CID: 45075423

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -0.24579148
• LogD (pH = 7.4): 0.8633169
• Log P: 2.9244213
• Molar Refractivity: 65.338 cm^3
• Polarizability: 25.663584 Å^3
• Polar Surface Area: 21.26 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false