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

C19H21Br2N3O — CID 981054

IUPAC(2S)-1-(3,6-dibromocarbazol-9-yl)-3-piperazin-1-ylpropan-2-ol
SMILESO[C@@H](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/t15-/m0/s1
InChIKeyKUUJEXLRLIPQQJ-HNNXBMFYSA-N
MW467.21 g/mol
LogP3.59
Rot. Bonds4

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

(2S)-1-(3,6-dibromocarbazol-9-yl)-3-piperazin-1-ylpropan-2-ol (PubChem CID 981054) has the molecular formula C19H21Br2N3O and a molecular weight of 467.21 g/mol. Its IUPAC name is (2S)-1-(3,6-dibromocarbazol-9-yl)-3-piperazin-1-ylpropan-2-ol.

Molecular Properties

Compound Name(2S)-1-(3,6-dibromocarbazol-9-yl)-3-piperazin-1-ylpropan-2-ol
PubChem CID981054
Molecular FormulaC19H21Br2N3O
Molecular Weight467.21 g/mol
Exact Mass465.01
IUPAC Name(2S)-1-(3,6-dibromocarbazol-9-yl)-3-piperazin-1-ylpropan-2-ol
SMILESO[C@@H](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/t15-/m0/s1
InChIKeyKUUJEXLRLIPQQJ-HNNXBMFYSA-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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Related Compounds

(2S)-1-(3,6-dibromocarbazol-9-yl)-3-piperazin-1-ylpropan-2-ol;dihydrochloride
CID 138107609
(2R)-1-(3,6-dibromocarbazol-9-yl)-3-piperazin-1-ylpropan-2-amine
CID 69283283
(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-(3,6-difluorocarbazol-9-yl)-3-piperazin-1-ylpropan-2-ol
CID 142425581
(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
1-(3,6-dichlorocarbazol-9-yl)-3-piperazin-1-ylpropan-2-ol;dihydrochloride
CID 2729028
(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
(2S)-1-(3,6-dibromocarbazol-9-yl)-3-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]propan-2-ol
CID 69282541
3-[4-[3-(3,6-dibromocarbazol-9-yl)-2-hydroxypropyl]piperazin-1-yl]propanoic acid
CID 166554678
1-(4-benzylpiperazin-1-yl)-3-(3,6-dibromocarbazol-9-yl)propan-2-ol
CID 2851937
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

Frequently Asked Questions

What is the IUPAC name of (2S)-1-(3,6-dibromocarbazol-9-yl)-3-piperazin-1-ylpropan-2-ol?
The IUPAC name of (2S)-1-(3,6-dibromocarbazol-9-yl)-3-piperazin-1-ylpropan-2-ol (CID 981054) is (2S)-1-(3,6-dibromocarbazol-9-yl)-3-piperazin-1-ylpropan-2-ol.
What is the SMILES notation for (2S)-1-(3,6-dibromocarbazol-9-yl)-3-piperazin-1-ylpropan-2-ol?
The canonical SMILES for (2S)-1-(3,6-dibromocarbazol-9-yl)-3-piperazin-1-ylpropan-2-ol is O[C@@H](CN1CCNCC1)Cn1c2ccc(Br)cc2c2cc(Br)ccc21.
What is the InChIKey of (2S)-1-(3,6-dibromocarbazol-9-yl)-3-piperazin-1-ylpropan-2-ol?
The InChIKey is KUUJEXLRLIPQQJ-HNNXBMFYSA-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/t15-/m0/s1.
What are the key properties of (2S)-1-(3,6-dibromocarbazol-9-yl)-3-piperazin-1-ylpropan-2-ol?
(2S)-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 (2S)-1-(3,6-dibromocarbazol-9-yl)-3-piperazin-1-ylpropan-2-ol is sourced from PubChem (CID 981054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).