4-(2,6-dimethylphenoxy)piperidine hydrochloride

• ChemBase ID: 259483
• Molecular Formular: C13H20ClNO
• Molecular Mass: 241.757
• Monoisotopic Mass: 241.12334195
• SMILES: c1(OC2CCNCC2)c(cccc1C)C.Cl
• Canonical SMILES: Cc1cccc(c1OC1CCNCC1)C.Cl
• InChI: InChI=1S/C13H19NO.ClH/c1-10-4-3-5-11(2)13(10)15-12-6-8-14-9-7-12;/h3-5,12,14H,6-9H2,1-2H3;1H
• InChIKey: NVLBMDVVODPLJD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-(2,6-dimethylphenoxy)piperidine hydrochloride
• IUPAC Traditional name: 4-(2,6-dimethylphenoxy)piperidine hydrochloride
• Synonyms: 4-(2,6-dimethylphenoxy)piperidine hydrochloride

Database IDs

• MDL Number: MFCD11858064
• PubChem SID: 164315393
• PubChem CID: 42948944

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -0.7212232
• LogD (pH = 7.4): 0.123095654
• Log P: 2.4861755
• Molar Refractivity: 62.76 cm^3
• Polarizability: 24.559624 Å^3
• Polar Surface Area: 21.26 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.671

Product Information

• Purity: 95%