3,4-dihydro-2H-spiro[naphthalene-1,4'-piperidine] hydrochloride

• ChemBase ID: 64026
• Molecular Formular: C14H20ClN
• Molecular Mass: 237.7683
• Monoisotopic Mass: 237.12842733
• SMILES: Cl.C12(CCNCC1)CCCc1ccccc21
• Canonical SMILES: N1CCC2(CC1)CCCc1c2cccc1.Cl
• InChI: InChI=1S/C14H19N.ClH/c1-2-6-13-12(4-1)5-3-7-14(13)8-10-15-11-9-14;/h1-2,4,6,15H,3,5,7-11H2;1H
• InChIKey: FBFMEJWLEWTMBI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3,4-dihydro-2H-spiro[naphthalene-1,4'-piperidine] hydrochloride
• IUPAC Traditional name: 3,4-dihydro-2H-spiro[naphthalene-1,4'-piperidine] hydrochloride
• Synonyms: Spiro[piperidine-4,1'-tetralin] hydrochloride

Database IDs

• CAS Number: 95195-98-5
• MDL Number: MFCD02178985
• PubChem SID: 162029765
• PubChem CID: 45073865

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -0.3482358
• LogD (pH = 7.4): 0.32589364
• Log P: 2.872622
• Molar Refractivity: 63.7941 cm^3
• Polarizability: 25.025429 Å^3
• Polar Surface Area: 12.03 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: >95%