1-(3,6-dibromocarbazol-9-yl)-3-piperazin-1-ylpropan-2-ol

C19H21Br2N3O — CID 2729027

IUPAC1-(3,6-dibromocarbazol-9-yl)-3-piperazin-1-ylpropan-2-ol
SMILESOC(CN1CCNCC1)Cn1c2ccc(Br)cc2c2cc(Br)ccc21
InChIInChI=1S/C19H21Br2N3O/c20-13-1-3-18-16(9-13)17-10-14(21)2-4-19(17)24(18)12-15(25)11-23-7-5-22-6-8-23/h1-4,9-10,15,22,25H,5-8,11-12H2
InChIKeyKUUJEXLRLIPQQJ-UHFFFAOYSA-N
MW467.21 g/mol
LogP3.59
Rot. Bonds4

About 1-(3,6-dibromocarbazol-9-yl)-3-piperazin-1-ylpropan-2-ol

1-(3,6-dibromocarbazol-9-yl)-3-piperazin-1-ylpropan-2-ol (PubChem CID 2729027) has the molecular formula C19H21Br2N3O and a molecular weight of 467.21 g/mol. Its IUPAC name is 1-(3,6-dibromocarbazol-9-yl)-3-piperazin-1-ylpropan-2-ol.

Molecular Properties

Compound Name1-(3,6-dibromocarbazol-9-yl)-3-piperazin-1-ylpropan-2-ol
PubChem CID2729027
Molecular FormulaC19H21Br2N3O
Molecular Weight467.21 g/mol
Exact Mass465.01
IUPAC Name1-(3,6-dibromocarbazol-9-yl)-3-piperazin-1-ylpropan-2-ol
SMILESOC(CN1CCNCC1)Cn1c2ccc(Br)cc2c2cc(Br)ccc21
InChIInChI=1S/C19H21Br2N3O/c20-13-1-3-18-16(9-13)17-10-14(21)2-4-19(17)24(18)12-15(25)11-23-7-5-22-6-8-23/h1-4,9-10,15,22,25H,5-8,11-12H2
InChIKeyKUUJEXLRLIPQQJ-UHFFFAOYSA-N
XLogP3.59
TPSA40.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.21
LogP ≤ 53.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(3,6-dibromocarbazol-9-yl)-3-piperazin-1-ylpropan-2-ol?
The IUPAC name of 1-(3,6-dibromocarbazol-9-yl)-3-piperazin-1-ylpropan-2-ol (CID 2729027) is 1-(3,6-dibromocarbazol-9-yl)-3-piperazin-1-ylpropan-2-ol.
What is the SMILES notation for 1-(3,6-dibromocarbazol-9-yl)-3-piperazin-1-ylpropan-2-ol?
The canonical SMILES for 1-(3,6-dibromocarbazol-9-yl)-3-piperazin-1-ylpropan-2-ol is OC(CN1CCNCC1)Cn1c2ccc(Br)cc2c2cc(Br)ccc21.
What is the InChIKey of 1-(3,6-dibromocarbazol-9-yl)-3-piperazin-1-ylpropan-2-ol?
The InChIKey is KUUJEXLRLIPQQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21Br2N3O/c20-13-1-3-18-16(9-13)17-10-14(21)2-4-19(17)24(18)12-15(25)11-23-7-5-22-6-8-23/h1-4,9-10,15,22,25H,5-8,11-12H2.
What are the key properties of 1-(3,6-dibromocarbazol-9-yl)-3-piperazin-1-ylpropan-2-ol?
1-(3,6-dibromocarbazol-9-yl)-3-piperazin-1-ylpropan-2-ol has a molecular weight of 467.21 g/mol, XLogP of 3.59, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,6-dibromocarbazol-9-yl)-3-piperazin-1-ylpropan-2-ol is sourced from PubChem (CID 2729027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).