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

• ChemBase ID: 236221
• Molecular Formular: C14H19N
• Molecular Mass: 201.30736
• Monoisotopic Mass: 201.15174961
• SMILES: c12C3(CNCCC3)CCCc1cccc2
• Canonical SMILES: C1CCC2(CN1)CCCc1c2cccc1
• InChI: InChI=1S/C14H19N/c1-2-7-13-12(5-1)6-3-8-14(13)9-4-10-15-11-14/h1-2,5,7,15H,3-4,6,8-11H2
• InChIKey: LMWZSFKRLLPFGE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD19680388
• PubChem SID: 164292131
• PubChem CID: 45073867

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -0.18873292
• LogD (pH = 7.4): 0.5383857
• Log P: 3.0285294
• Molar Refractivity: 63.6401 cm^3
• Polarizability: 25.024733 Å^3
• Polar Surface Area: 12.03 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 3.436

Product Information

• Purity: 95%