6-bromo-1-[4-[3-(4-methylpiperazin-1-yl)propoxy]phenyl]-2,3,4,9-tetrahydro-1H-carbazole

C26H32BrN3O — CID 11540283

IUPAC6-bromo-1-[4-[3-(4-methylpiperazin-1-yl)propoxy]phenyl]-2,3,4,9-tetrahydro-1H-carbazole
SMILESCN1CCN(CCCOc2ccc(C3CCCc4c3[nH]c3ccc(Br)cc43)cc2)CC1
InChIInChI=1S/C26H32BrN3O/c1-29-13-15-30(16-14-29)12-3-17-31-21-9-6-19(7-10-21)22-4-2-5-23-24-18-20(27)8-11-25(24)28-26(22)23/h6-11,18,22,28H,2-5,12-17H2,1H3
InChIKeyWICITFXLPGOCRH-UHFFFAOYSA-N
MW482.47 g/mol
LogP5.41
Rot. Bonds6

About 6-bromo-1-[4-[3-(4-methylpiperazin-1-yl)propoxy]phenyl]-2,3,4,9-tetrahydro-1H-carbazole

6-bromo-1-[4-[3-(4-methylpiperazin-1-yl)propoxy]phenyl]-2,3,4,9-tetrahydro-1H-carbazole (PubChem CID 11540283) has the molecular formula C26H32BrN3O and a molecular weight of 482.47 g/mol. Its IUPAC name is 6-bromo-1-[4-[3-(4-methylpiperazin-1-yl)propoxy]phenyl]-2,3,4,9-tetrahydro-1H-carbazole.

Molecular Properties

Compound Name6-bromo-1-[4-[3-(4-methylpiperazin-1-yl)propoxy]phenyl]-2,3,4,9-tetrahydro-1H-carbazole
PubChem CID11540283
Molecular FormulaC26H32BrN3O
Molecular Weight482.47 g/mol
Exact Mass481.17
IUPAC Name6-bromo-1-[4-[3-(4-methylpiperazin-1-yl)propoxy]phenyl]-2,3,4,9-tetrahydro-1H-carbazole
SMILESCN1CCN(CCCOc2ccc(C3CCCc4c3[nH]c3ccc(Br)cc43)cc2)CC1
InChIInChI=1S/C26H32BrN3O/c1-29-13-15-30(16-14-29)12-3-17-31-21-9-6-19(7-10-21)22-4-2-5-23-24-18-20(27)8-11-25(24)28-26(22)23/h6-11,18,22,28H,2-5,12-17H2,1H3
InChIKeyWICITFXLPGOCRH-UHFFFAOYSA-N
XLogP5.41
TPSA31.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500482.47
LogP ≤ 55.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-1-[4-[3-(4-methylpiperazin-1-yl)propoxy]phenyl]-2,3,4,9-tetrahydro-1H-carbazole?
The IUPAC name of 6-bromo-1-[4-[3-(4-methylpiperazin-1-yl)propoxy]phenyl]-2,3,4,9-tetrahydro-1H-carbazole (CID 11540283) is 6-bromo-1-[4-[3-(4-methylpiperazin-1-yl)propoxy]phenyl]-2,3,4,9-tetrahydro-1H-carbazole.
What is the SMILES notation for 6-bromo-1-[4-[3-(4-methylpiperazin-1-yl)propoxy]phenyl]-2,3,4,9-tetrahydro-1H-carbazole?
The canonical SMILES for 6-bromo-1-[4-[3-(4-methylpiperazin-1-yl)propoxy]phenyl]-2,3,4,9-tetrahydro-1H-carbazole is CN1CCN(CCCOc2ccc(C3CCCc4c3[nH]c3ccc(Br)cc43)cc2)CC1.
What is the InChIKey of 6-bromo-1-[4-[3-(4-methylpiperazin-1-yl)propoxy]phenyl]-2,3,4,9-tetrahydro-1H-carbazole?
The InChIKey is WICITFXLPGOCRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32BrN3O/c1-29-13-15-30(16-14-29)12-3-17-31-21-9-6-19(7-10-21)22-4-2-5-23-24-18-20(27)8-11-25(24)28-26(22)23/h6-11,18,22,28H,2-5,12-17H2,1H3.
What are the key properties of 6-bromo-1-[4-[3-(4-methylpiperazin-1-yl)propoxy]phenyl]-2,3,4,9-tetrahydro-1H-carbazole?
6-bromo-1-[4-[3-(4-methylpiperazin-1-yl)propoxy]phenyl]-2,3,4,9-tetrahydro-1H-carbazole has a molecular weight of 482.47 g/mol, XLogP of 5.41, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-1-[4-[3-(4-methylpiperazin-1-yl)propoxy]phenyl]-2,3,4,9-tetrahydro-1H-carbazole is sourced from PubChem (CID 11540283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).