3-(5,6,7,8-tetrahydronaphthalen-1-yloxy)piperidine hydrochloride

• ChemBase ID: 20843
• Molecular Formular: C15H22ClNO
• Molecular Mass: 267.79428
• Monoisotopic Mass: 267.13899201
• SMILES: c1(c2c(ccc1)CCCC2)OC1CNCCC1.Cl
• Canonical SMILES: C1CCC(CN1)Oc1cccc2c1CCCC2.Cl
• InChI: InChI=1S/C15H21NO.ClH/c1-2-8-14-12(5-1)6-3-9-15(14)17-13-7-4-10-16-11-13;/h3,6,9,13,16H,1-2,4-5,7-8,10-11H2;1H
• InChIKey: GUDWIICPLOQQOW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-(5,6,7,8-tetrahydronaphthalen-1-yloxy)piperidine hydrochloride
• IUPAC Traditional name: 3-(5,6,7,8-tetrahydronaphthalen-1-yloxy)piperidine hydrochloride
• Synonyms: 3-(5,6,7,8-Tetrahydro-1-naphthalenyloxy) piperidine hydrochloride

Database IDs

• MDL Number: MFCD09879206
• PubChem SID: 160984150
• PubChem CID: 45075380

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 0.19902287
• LogD (pH = 7.4): 1.3093771
• Log P: 3.36899
• Molar Refractivity: 69.939 cm^3
• Polarizability: 27.51067 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