1-(4-benzylpiperazin-1-yl)-3-(3,6-dibromocarbazol-9-yl)propan-2-ol

C26H27Br2N3O — CID 2851937

IUPAC1-(4-benzylpiperazin-1-yl)-3-(3,6-dibromocarbazol-9-yl)propan-2-ol
SMILESOC(CN1CCN(Cc2ccccc2)CC1)Cn1c2ccc(Br)cc2c2cc(Br)ccc21
InChIInChI=1S/C26H27Br2N3O/c27-20-6-8-25-23(14-20)24-15-21(28)7-9-26(24)31(25)18-22(32)17-30-12-10-29(11-13-30)16-19-4-2-1-3-5-19/h1-9,14-15,22,32H,10-13,16-18H2
InChIKeyMUTYIBZJFUUPAA-UHFFFAOYSA-N
MW557.33 g/mol
LogP5.50
Rot. Bonds6

About 1-(4-benzylpiperazin-1-yl)-3-(3,6-dibromocarbazol-9-yl)propan-2-ol

1-(4-benzylpiperazin-1-yl)-3-(3,6-dibromocarbazol-9-yl)propan-2-ol (PubChem CID 2851937) has the molecular formula C26H27Br2N3O and a molecular weight of 557.33 g/mol. Its IUPAC name is 1-(4-benzylpiperazin-1-yl)-3-(3,6-dibromocarbazol-9-yl)propan-2-ol.

Molecular Properties

Compound Name1-(4-benzylpiperazin-1-yl)-3-(3,6-dibromocarbazol-9-yl)propan-2-ol
PubChem CID2851937
Molecular FormulaC26H27Br2N3O
Molecular Weight557.33 g/mol
Exact Mass555.05
IUPAC Name1-(4-benzylpiperazin-1-yl)-3-(3,6-dibromocarbazol-9-yl)propan-2-ol
SMILESOC(CN1CCN(Cc2ccccc2)CC1)Cn1c2ccc(Br)cc2c2cc(Br)ccc21
InChIInChI=1S/C26H27Br2N3O/c27-20-6-8-25-23(14-20)24-15-21(28)7-9-26(24)31(25)18-22(32)17-30-12-10-29(11-13-30)16-19-4-2-1-3-5-19/h1-9,14-15,22,32H,10-13,16-18H2
InChIKeyMUTYIBZJFUUPAA-UHFFFAOYSA-N
XLogP5.50
TPSA31.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500557.33
LogP ≤ 55.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-1-(3,6-dibromocarbazol-9-yl)-3-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]propan-2-ol
CID 69282541
1-(3-bromocarbazol-9-yl)-3-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]propan-2-ol
CID 66741784
(2R)-1-(3-bromocarbazol-9-yl)-3-[4-[(2S)-3-carbazol-9-yl-2-hydroxypropyl]piperazin-1-yl]propan-2-ol
CID 92764423
1-(3-bromocarbazol-9-yl)-3-[4-(3-carbazol-9-yl-2-hydroxypropyl)piperazin-1-yl]propan-2-ol
CID 3098890
1-(4-benzylpiperazin-1-yl)-3-carbazol-9-ylpropan-2-ol
CID 2841332
(2S)-1-[4-[(2R)-3-(3,6-dibromocarbazol-9-yl)-2-hydroxypropyl]piperazin-1-yl]-3-(3,6-dichlorocarbazol-9-yl)propan-2-ol
CID 99707929
(2S)-1-[4-[(2S)-3-(3,6-dibromocarbazol-9-yl)-2-hydroxypropyl]piperazin-1-yl]-3-(3,6-dichlorocarbazol-9-yl)propan-2-ol
CID 99707925
4-[(2S)-3-(3-bromocarbazol-9-yl)-2-hydroxypropyl]piperazine-1-carboxylic acid
CID 69284445
(2R)-1-(3,6-dibromocarbazol-9-yl)-3-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]propan-2-ol
CID 1097693
3-[4-[3-(3,6-dibromocarbazol-9-yl)-2-hydroxypropyl]piperazin-1-yl]propanoic acid
CID 166554678
(2S)-1-(3,6-dibromocarbazol-9-yl)-3-piperazin-1-ylpropan-2-ol
CID 981054
(2R)-1-[4-(4-chlorophenyl)piperazin-1-yl]-3-(3,6-dibromocarbazol-9-yl)propan-2-ol
CID 997579

Frequently Asked Questions

What is the IUPAC name of 1-(4-benzylpiperazin-1-yl)-3-(3,6-dibromocarbazol-9-yl)propan-2-ol?
The IUPAC name of 1-(4-benzylpiperazin-1-yl)-3-(3,6-dibromocarbazol-9-yl)propan-2-ol (CID 2851937) is 1-(4-benzylpiperazin-1-yl)-3-(3,6-dibromocarbazol-9-yl)propan-2-ol.
What is the SMILES notation for 1-(4-benzylpiperazin-1-yl)-3-(3,6-dibromocarbazol-9-yl)propan-2-ol?
The canonical SMILES for 1-(4-benzylpiperazin-1-yl)-3-(3,6-dibromocarbazol-9-yl)propan-2-ol is OC(CN1CCN(Cc2ccccc2)CC1)Cn1c2ccc(Br)cc2c2cc(Br)ccc21.
What is the InChIKey of 1-(4-benzylpiperazin-1-yl)-3-(3,6-dibromocarbazol-9-yl)propan-2-ol?
The InChIKey is MUTYIBZJFUUPAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27Br2N3O/c27-20-6-8-25-23(14-20)24-15-21(28)7-9-26(24)31(25)18-22(32)17-30-12-10-29(11-13-30)16-19-4-2-1-3-5-19/h1-9,14-15,22,32H,10-13,16-18H2.
What are the key properties of 1-(4-benzylpiperazin-1-yl)-3-(3,6-dibromocarbazol-9-yl)propan-2-ol?
1-(4-benzylpiperazin-1-yl)-3-(3,6-dibromocarbazol-9-yl)propan-2-ol has a molecular weight of 557.33 g/mol, XLogP of 5.50, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-benzylpiperazin-1-yl)-3-(3,6-dibromocarbazol-9-yl)propan-2-ol is sourced from PubChem (CID 2851937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).