6-methyl-4-(piperidine-1-carbonyl)-6,11-diazatetracyclo[7.6.1.02,7.012,16]hexadeca-1(16),2,9,12,14-pentaene

• ChemBase ID: 128122
• Molecular Formular: C21H25N3O
• Molecular Mass: 335.4427
• Monoisotopic Mass: 335.19976244
• SMILES: c12c3cccc1[nH]cc2CC1C3=CC(CN1C)C(=O)N1CCCCC1
• Canonical SMILES: CN1CC(C=C2C1Cc1c[nH]c3c1c2ccc3)C(=O)N1CCCCC1
• InChI: InChI=1S/C21H25N3O/c1-23-13-15(21(25)24-8-3-2-4-9-24)10-17-16-6-5-7-18-20(16)14(12-22-18)11-19(17)23/h5-7,10,12,15,19,22H,2-4,8-9,11,13H2,1H3
• InChIKey: URDULHYODQAQTM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-methyl-4-(piperidine-1-carbonyl)-6,11-diazatetracyclo[7.6.1.0^2,^7.0^1^2,^1^6]hexadeca-1(16),2,9,12,14-pentaene
• IUPAC Traditional name: lsd-pip
• Synonyms: LSD-Pip

Database IDs

• CAS Number: 50485-23-9
• PubChem SID: 162222436
• PubChem CID: 308707
• Wikipedia Title: LSD-Pip

CALCULATED PROPERTIES

• Acid pKa: 17.018362
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -0.020958485
• LogD (pH = 7.4): 1.7397351
• Log P: 2.418265
• Molar Refractivity: 101.3795 cm^3
• Polarizability: 39.811836 Å^3
• Polar Surface Area: 39.34 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true