6,7,8,9-tetrahydrospiro[-benzo[7]annulene-5,3'-piperidine]

• ChemBase ID: 237652
• Molecular Formular: C15H21N
• Molecular Mass: 215.33394
• Monoisotopic Mass: 215.16739968
• SMILES: c12C3(CNCCC3)CCCCc1cccc2
• Canonical SMILES: C1CCC2(CN1)CCCCc1c2cccc1
• InChI: InChI=1S/C15H21N/c1-2-8-14-13(6-1)7-3-4-9-15(14)10-5-11-16-12-15/h1-2,6,8,16H,3-5,7,9-12H2
• InChIKey: RRTZRQOJLYTCAQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6,7,8,9-tetrahydrospiro[-benzo[7]annulene-5,3'-piperidine]
• IUPAC Traditional name: 6,7,8,9-tetrahydrospiro[-benzo[7]annulene-5,3'-piperidine]
• Synonyms: 6,7,8,9-tetrahydrospiro[-benzo[7]annulene-5,3'-piperidine]

Database IDs

• MDL Number: MFCD19680400
• PubChem SID: 164293562
• PubChem CID: 64222777

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 0.25583458
• LogD (pH = 7.4): 0.98293716
• Log P: 3.473098
• Molar Refractivity: 68.2411 cm^3
• Polarizability: 26.871685 Å^3
• Polar Surface Area: 12.03 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 3.995

Product Information

• Purity: 95%