1-(3,6-dibromocarbazol-9-yl)-3-[4-(2-morpholin-4-ylethyl)piperazin-1-yl]propan-2-ol

C25H32Br2N4O2 — CID 10897165

IUPAC1-(3,6-dibromocarbazol-9-yl)-3-[4-(2-morpholin-4-ylethyl)piperazin-1-yl]propan-2-ol
SMILESOC(CN1CCN(CCN2CCOCC2)CC1)Cn1c2ccc(Br)cc2c2cc(Br)ccc21
InChIInChI=1S/C25H32Br2N4O2/c26-19-1-3-24-22(15-19)23-16-20(27)2-4-25(23)31(24)18-21(32)17-30-9-7-28(8-10-30)5-6-29-11-13-33-14-12-29/h1-4,15-16,21,32H,5-14,17-18H2
InChIKeyMXTYFGDPQYBTCG-UHFFFAOYSA-N
MW580.37 g/mol
LogP3.63
Rot. Bonds7

About 1-(3,6-dibromocarbazol-9-yl)-3-[4-(2-morpholin-4-ylethyl)piperazin-1-yl]propan-2-ol

1-(3,6-dibromocarbazol-9-yl)-3-[4-(2-morpholin-4-ylethyl)piperazin-1-yl]propan-2-ol (PubChem CID 10897165) has the molecular formula C25H32Br2N4O2 and a molecular weight of 580.37 g/mol. Its IUPAC name is 1-(3,6-dibromocarbazol-9-yl)-3-[4-(2-morpholin-4-ylethyl)piperazin-1-yl]propan-2-ol.

Molecular Properties

Compound Name1-(3,6-dibromocarbazol-9-yl)-3-[4-(2-morpholin-4-ylethyl)piperazin-1-yl]propan-2-ol
PubChem CID10897165
Molecular FormulaC25H32Br2N4O2
Molecular Weight580.37 g/mol
Exact Mass578.09
IUPAC Name1-(3,6-dibromocarbazol-9-yl)-3-[4-(2-morpholin-4-ylethyl)piperazin-1-yl]propan-2-ol
SMILESOC(CN1CCN(CCN2CCOCC2)CC1)Cn1c2ccc(Br)cc2c2cc(Br)ccc21
InChIInChI=1S/C25H32Br2N4O2/c26-19-1-3-24-22(15-19)23-16-20(27)2-4-25(23)31(24)18-21(32)17-30-9-7-28(8-10-30)5-6-29-11-13-33-14-12-29/h1-4,15-16,21,32H,5-14,17-18H2
InChIKeyMXTYFGDPQYBTCG-UHFFFAOYSA-N
XLogP3.63
TPSA44.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500580.37
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(3,6-dibromocarbazol-9-yl)-3-[4-(2-morpholin-4-ylethyl)piperazin-1-yl]propan-2-ol?
The IUPAC name of 1-(3,6-dibromocarbazol-9-yl)-3-[4-(2-morpholin-4-ylethyl)piperazin-1-yl]propan-2-ol (CID 10897165) is 1-(3,6-dibromocarbazol-9-yl)-3-[4-(2-morpholin-4-ylethyl)piperazin-1-yl]propan-2-ol.
What is the SMILES notation for 1-(3,6-dibromocarbazol-9-yl)-3-[4-(2-morpholin-4-ylethyl)piperazin-1-yl]propan-2-ol?
The canonical SMILES for 1-(3,6-dibromocarbazol-9-yl)-3-[4-(2-morpholin-4-ylethyl)piperazin-1-yl]propan-2-ol is OC(CN1CCN(CCN2CCOCC2)CC1)Cn1c2ccc(Br)cc2c2cc(Br)ccc21.
What is the InChIKey of 1-(3,6-dibromocarbazol-9-yl)-3-[4-(2-morpholin-4-ylethyl)piperazin-1-yl]propan-2-ol?
The InChIKey is MXTYFGDPQYBTCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32Br2N4O2/c26-19-1-3-24-22(15-19)23-16-20(27)2-4-25(23)31(24)18-21(32)17-30-9-7-28(8-10-30)5-6-29-11-13-33-14-12-29/h1-4,15-16,21,32H,5-14,17-18H2.
What are the key properties of 1-(3,6-dibromocarbazol-9-yl)-3-[4-(2-morpholin-4-ylethyl)piperazin-1-yl]propan-2-ol?
1-(3,6-dibromocarbazol-9-yl)-3-[4-(2-morpholin-4-ylethyl)piperazin-1-yl]propan-2-ol has a molecular weight of 580.37 g/mol, XLogP of 3.63, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,6-dibromocarbazol-9-yl)-3-[4-(2-morpholin-4-ylethyl)piperazin-1-yl]propan-2-ol is sourced from PubChem (CID 10897165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).