1-(piperidin-1-ylmethyl)naphthalen-2-ol

• ChemBase ID: 87097
• Molecular Formular: C16H19NO
• Molecular Mass: 241.32816
• Monoisotopic Mass: 241.14666423
• SMILES: N1(Cc2c(ccc3ccccc23)O)CCCCC1
• Canonical SMILES: Oc1ccc2c(c1CN1CCCCC1)cccc2
• InChI: InChI=1S/C16H19NO/c18-16-9-8-13-6-2-3-7-14(13)15(16)12-17-10-4-1-5-11-17/h2-3,6-9,18H,1,4-5,10-12H2
• InChIKey: WFZSFSMELSBBJO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(piperidin-1-ylmethyl)naphthalen-2-ol; 1-[(piperidin-1-yl)methyl]naphthalen-2-ol
• IUPAC Traditional name: 1-(piperidin-1-ylmethyl)naphthalen-2-ol
• Synonyms: 1-(piperidinomethyl)-2-naphthol; 1-(Piperidin-1-ylmethyl)naphthalen-2-ol; 1-(piperidin-1-ylmethyl)-2-naphthol

Database IDs

• CAS Number: 5342-95-0
• MDL Number: MFCD00021615
• PubChem SID: 162074213
• PubChem CID: 21436

CALCULATED PROPERTIES

• Acid pKa: 7.7675138
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 0.19023094
• LogD (pH = 7.4): 1.5767647
• Log P: 2.0627785
• Molar Refractivity: 75.1738 cm^3
• Polarizability: 30.380426 Å^3
• Polar Surface Area: 23.47 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 96 - 98°C
• Hydrophobicity(logP): 3.626

Product Information

• Purity: 95%; 95+%; 97%