3-bromo-9-(2-fluoro-3-piperazin-1-ylpropyl)-6-methylcarbazole;1-(3-bromo-6-methylcarbazol-9-yl)-3-piperazin-1-ylpropan-2-ol;1-carbazol-9-yl-3-piperazin-1-ylpropan-2-ol;1-(3-chlorocarbazol-9-yl)-3-piperazin-1-ylpropan-2-ol;1-(3-methylcarbazol-9-yl)-3-piperazin-1-ylpropan-2-ol

C98H117Br2ClFN15O4 — CID 158039272

IUPAC3-bromo-9-(2-fluoro-3-piperazin-1-ylpropyl)-6-methylcarbazole;1-(3-bromo-6-methylcarbazol-9-yl)-3-piperazin-1-ylpropan-2-ol;1-carbazol-9-yl-3-piperazin-1-ylpropan-2-ol;1-(3-chlorocarbazol-9-yl)-3-piperazin-1-ylpropan-2-ol;1-(3-methylcarbazol-9-yl)-3-piperazin-1-ylpropan-2-ol
SMILESCc1ccc2c(c1)c1cc(Br)ccc1n2CC(F)CN1CCNCC1.Cc1ccc2c(c1)c1cc(Br)ccc1n2CC(O)CN1CCNCC1.Cc1ccc2c(c1)c1ccccc1n2CC(O)CN1CCNCC1.OC(CN1CCNCC1)Cn1c2ccccc2c2cc(Cl)ccc21.OC(CN1CCNCC1)Cn1c2ccccc2c2ccccc21
InChIInChI=1S/C20H23BrFN3.C20H24BrN3O.C20H25N3O.C19H22ClN3O.C19H23N3O/c1-14-2-4-19-17(10-14)18-11-15(21)3-5-20(18)25(19)13-16(22)12-24-8-6-23-7-9-24;1-14-2-4-19-17(10-14)18-11-15(21)3-5-20(18)24(19)13-16(25)12-23-8-6-22-7-9-23;1-15-6-7-20-18(12-15)17-4-2-3-5-19(17)23(20)14-16(24)13-22-10-8-21-9-11-22;20-14-5-6-19-17(11-14)16-3-1-2-4-18(16)23(19)13-15(24)12-22-9-7-21-8-10-22;23-15(13-21-11-9-20-10-12-21)14-22-18-7-3-1-5-16(18)17-6-2-4-8-19(17)22/h2-5,10-11,16,23H,6-9,12-13H2,1H3;2-5,10-11,16,22,25H,6-9,12-13H2,1H3;2-7,12,16,21,24H,8-11,13-14H2,1H3;1-6,11,15,21,24H,7-10,12-13H2;1-8,15,20,23H,9-14H2
InChIKeyFIDOCKQBQRNQLX-UHFFFAOYSA-N
MW1783.37 g/mol
LogP14.38
Rot. Bonds20

About 3-bromo-9-(2-fluoro-3-piperazin-1-ylpropyl)-6-methylcarbazole;1-(3-bromo-6-methylcarbazol-9-yl)-3-piperazin-1-ylpropan-2-ol;1-carbazol-9-yl-3-piperazin-1-ylpropan-2-ol;1-(3-chlorocarbazol-9-yl)-3-piperazin-1-ylpropan-2-ol;1-(3-methylcarbazol-9-yl)-3-piperazin-1-ylpropan-2-ol

3-bromo-9-(2-fluoro-3-piperazin-1-ylpropyl)-6-methylcarbazole;1-(3-bromo-6-methylcarbazol-9-yl)-3-piperazin-1-ylpropan-2-ol;1-carbazol-9-yl-3-piperazin-1-ylpropan-2-ol;1-(3-chlorocarbazol-9-yl)-3-piperazin-1-ylpropan-2-ol;1-(3-methylcarbazol-9-yl)-3-piperazin-1-ylpropan-2-ol (PubChem CID 158039272) has the molecular formula C98H117Br2ClFN15O4 and a molecular weight of 1783.37 g/mol. Its IUPAC name is 3-bromo-9-(2-fluoro-3-piperazin-1-ylpropyl)-6-methylcarbazole;1-(3-bromo-6-methylcarbazol-9-yl)-3-piperazin-1-ylpropan-2-ol;1-carbazol-9-yl-3-piperazin-1-ylpropan-2-ol;1-(3-chlorocarbazol-9-yl)-3-piperazin-1-ylpropan-2-ol;1-(3-methylcarbazol-9-yl)-3-piperazin-1-ylpropan-2-ol.

Molecular Properties

Compound Name3-bromo-9-(2-fluoro-3-piperazin-1-ylpropyl)-6-methylcarbazole;1-(3-bromo-6-methylcarbazol-9-yl)-3-piperazin-1-ylpropan-2-ol;1-carbazol-9-yl-3-piperazin-1-ylpropan-2-ol;1-(3-chlorocarbazol-9-yl)-3-piperazin-1-ylpropan-2-ol;1-(3-methylcarbazol-9-yl)-3-piperazin-1-ylpropan-2-ol
PubChem CID158039272
Molecular FormulaC98H117Br2ClFN15O4
Molecular Weight1783.37 g/mol
Exact Mass1779.75
IUPAC Name3-bromo-9-(2-fluoro-3-piperazin-1-ylpropyl)-6-methylcarbazole;1-(3-bromo-6-methylcarbazol-9-yl)-3-piperazin-1-ylpropan-2-ol;1-carbazol-9-yl-3-piperazin-1-ylpropan-2-ol;1-(3-chlorocarbazol-9-yl)-3-piperazin-1-ylpropan-2-ol;1-(3-methylcarbazol-9-yl)-3-piperazin-1-ylpropan-2-ol
SMILESCc1ccc2c(c1)c1cc(Br)ccc1n2CC(F)CN1CCNCC1.Cc1ccc2c(c1)c1cc(Br)ccc1n2CC(O)CN1CCNCC1.Cc1ccc2c(c1)c1ccccc1n2CC(O)CN1CCNCC1.OC(CN1CCNCC1)Cn1c2ccccc2c2cc(Cl)ccc21.OC(CN1CCNCC1)Cn1c2ccccc2c2ccccc21
InChIInChI=1S/C20H23BrFN3.C20H24BrN3O.C20H25N3O.C19H22ClN3O.C19H23N3O/c1-14-2-4-19-17(10-14)18-11-15(21)3-5-20(18)25(19)13-16(22)12-24-8-6-23-7-9-24;1-14-2-4-19-17(10-14)18-11-15(21)3-5-20(18)24(19)13-16(25)12-23-8-6-22-7-9-23;1-15-6-7-20-18(12-15)17-4-2-3-5-19(17)23(20)14-16(24)13-22-10-8-21-9-11-22;20-14-5-6-19-17(11-14)16-3-1-2-4-18(16)23(19)13-15(24)12-22-9-7-21-8-10-22;23-15(13-21-11-9-20-10-12-21)14-22-18-7-3-1-5-16(18)17-6-2-4-8-19(17)22/h2-5,10-11,16,23H,6-9,12-13H2,1H3;2-5,10-11,16,22,25H,6-9,12-13H2,1H3;2-7,12,16,21,24H,8-11,13-14H2,1H3;1-6,11,15,21,24H,7-10,12-13H2;1-8,15,20,23H,9-14H2
InChIKeyFIDOCKQBQRNQLX-UHFFFAOYSA-N
XLogP14.38
TPSA181.92 Ų
H-Bond Donors9
H-Bond Acceptors19
Rotatable Bonds20
Heavy Atoms121
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001783.37
LogP ≤ 514.38
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 1019

Analyze 3-bromo-9-(2-fluoro-3-piperazin-1-ylpropyl)-6-methylcarbazole;1-(3-bromo-6-methylcarbazol-9-yl)-3-piperazin-1-ylpropan-2-ol;1-carbazol-9-yl-3-piperazin-1-ylpropan-2-ol;1-(3-chlorocarbazol-9-yl)-3-piperazin-1-ylpropan-2-ol;1-(3-methylcarbazol-9-yl)-3-piperazin-1-ylpropan-2-ol with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-bromo-9-(2-fluoro-3-piperazin-1-ylpropyl)-6-methylcarbazole;1-(3-bromo-6-methylcarbazol-9-yl)-3-piperazin-1-ylpropan-2-ol;1-carbazol-9-yl-3-piperazin-1-ylpropan-2-ol;1-(3-chlorocarbazol-9-yl)-3-piperazin-1-ylpropan-2-ol;1-(3-methylcarbazol-9-yl)-3-piperazin-1-ylpropan-2-ol?
The IUPAC name of 3-bromo-9-(2-fluoro-3-piperazin-1-ylpropyl)-6-methylcarbazole;1-(3-bromo-6-methylcarbazol-9-yl)-3-piperazin-1-ylpropan-2-ol;1-carbazol-9-yl-3-piperazin-1-ylpropan-2-ol;1-(3-chlorocarbazol-9-yl)-3-piperazin-1-ylpropan-2-ol;1-(3-methylcarbazol-9-yl)-3-piperazin-1-ylpropan-2-ol (CID 158039272) is 3-bromo-9-(2-fluoro-3-piperazin-1-ylpropyl)-6-methylcarbazole;1-(3-bromo-6-methylcarbazol-9-yl)-3-piperazin-1-ylpropan-2-ol;1-carbazol-9-yl-3-piperazin-1-ylpropan-2-ol;1-(3-chlorocarbazol-9-yl)-3-piperazin-1-ylpropan-2-ol;1-(3-methylcarbazol-9-yl)-3-piperazin-1-ylpropan-2-ol.
What is the SMILES notation for 3-bromo-9-(2-fluoro-3-piperazin-1-ylpropyl)-6-methylcarbazole;1-(3-bromo-6-methylcarbazol-9-yl)-3-piperazin-1-ylpropan-2-ol;1-carbazol-9-yl-3-piperazin-1-ylpropan-2-ol;1-(3-chlorocarbazol-9-yl)-3-piperazin-1-ylpropan-2-ol;1-(3-methylcarbazol-9-yl)-3-piperazin-1-ylpropan-2-ol?
The canonical SMILES for 3-bromo-9-(2-fluoro-3-piperazin-1-ylpropyl)-6-methylcarbazole;1-(3-bromo-6-methylcarbazol-9-yl)-3-piperazin-1-ylpropan-2-ol;1-carbazol-9-yl-3-piperazin-1-ylpropan-2-ol;1-(3-chlorocarbazol-9-yl)-3-piperazin-1-ylpropan-2-ol;1-(3-methylcarbazol-9-yl)-3-piperazin-1-ylpropan-2-ol is Cc1ccc2c(c1)c1cc(Br)ccc1n2CC(F)CN1CCNCC1.Cc1ccc2c(c1)c1cc(Br)ccc1n2CC(O)CN1CCNCC1.Cc1ccc2c(c1)c1ccccc1n2CC(O)CN1CCNCC1.OC(CN1CCNCC1)Cn1c2ccccc2c2cc(Cl)ccc21.OC(CN1CCNCC1)Cn1c2ccccc2c2ccccc21.
What is the InChIKey of 3-bromo-9-(2-fluoro-3-piperazin-1-ylpropyl)-6-methylcarbazole;1-(3-bromo-6-methylcarbazol-9-yl)-3-piperazin-1-ylpropan-2-ol;1-carbazol-9-yl-3-piperazin-1-ylpropan-2-ol;1-(3-chlorocarbazol-9-yl)-3-piperazin-1-ylpropan-2-ol;1-(3-methylcarbazol-9-yl)-3-piperazin-1-ylpropan-2-ol?
The InChIKey is FIDOCKQBQRNQLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23BrFN3.C20H24BrN3O.C20H25N3O.C19H22ClN3O.C19H23N3O/c1-14-2-4-19-17(10-14)18-11-15(21)3-5-20(18)25(19)13-16(22)12-24-8-6-23-7-9-24;1-14-2-4-19-17(10-14)18-11-15(21)3-5-20(18)24(19)13-16(25)12-23-8-6-22-7-9-23;1-15-6-7-20-18(12-15)17-4-2-3-5-19(17)23(20)14-16(24)13-22-10-8-21-9-11-22;20-14-5-6-19-17(11-14)16-3-1-2-4-18(16)23(19)13-15(24)12-22-9-7-21-8-10-22;23-15(13-21-11-9-20-10-12-21)14-22-18-7-3-1-5-16(18)17-6-2-4-8-19(17)22/h2-5,10-11,16,23H,6-9,12-13H2,1H3;2-5,10-11,16,22,25H,6-9,12-13H2,1H3;2-7,12,16,21,24H,8-11,13-14H2,1H3;1-6,11,15,21,24H,7-10,12-13H2;1-8,15,20,23H,9-14H2.
What are the key properties of 3-bromo-9-(2-fluoro-3-piperazin-1-ylpropyl)-6-methylcarbazole;1-(3-bromo-6-methylcarbazol-9-yl)-3-piperazin-1-ylpropan-2-ol;1-carbazol-9-yl-3-piperazin-1-ylpropan-2-ol;1-(3-chlorocarbazol-9-yl)-3-piperazin-1-ylpropan-2-ol;1-(3-methylcarbazol-9-yl)-3-piperazin-1-ylpropan-2-ol?
3-bromo-9-(2-fluoro-3-piperazin-1-ylpropyl)-6-methylcarbazole;1-(3-bromo-6-methylcarbazol-9-yl)-3-piperazin-1-ylpropan-2-ol;1-carbazol-9-yl-3-piperazin-1-ylpropan-2-ol;1-(3-chlorocarbazol-9-yl)-3-piperazin-1-ylpropan-2-ol;1-(3-methylcarbazol-9-yl)-3-piperazin-1-ylpropan-2-ol has a molecular weight of 1783.37 g/mol, XLogP of 14.38, 20 rotatable bonds, 9 hydrogen bond donors, and 19 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-9-(2-fluoro-3-piperazin-1-ylpropyl)-6-methylcarbazole;1-(3-bromo-6-methylcarbazol-9-yl)-3-piperazin-1-ylpropan-2-ol;1-carbazol-9-yl-3-piperazin-1-ylpropan-2-ol;1-(3-chlorocarbazol-9-yl)-3-piperazin-1-ylpropan-2-ol;1-(3-methylcarbazol-9-yl)-3-piperazin-1-ylpropan-2-ol is sourced from PubChem (CID 158039272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).