4-[(2S)-3-(3-bromocarbazol-9-yl)-2-hydroxypropyl]piperazine-1-carboxylic acid

C20H22BrN3O3 — CID 69284445

IUPAC4-[(2S)-3-(3-bromocarbazol-9-yl)-2-hydroxypropyl]piperazine-1-carboxylic acid
SMILESO=C(O)N1CCN(C[C@H](O)Cn2c3ccccc3c3cc(Br)ccc32)CC1
InChIInChI=1S/C20H22BrN3O3/c21-14-5-6-19-17(11-14)16-3-1-2-4-18(16)24(19)13-15(25)12-22-7-9-23(10-8-22)20(26)27/h1-6,11,15,25H,7-10,12-13H2,(H,26,27)/t15-/m0/s1
InChIKeyLZFWTVGMJNIGPQ-HNNXBMFYSA-N
MW432.32 g/mol
LogP3.21
Rot. Bonds4

About 4-[(2S)-3-(3-bromocarbazol-9-yl)-2-hydroxypropyl]piperazine-1-carboxylic acid

4-[(2S)-3-(3-bromocarbazol-9-yl)-2-hydroxypropyl]piperazine-1-carboxylic acid (PubChem CID 69284445) has the molecular formula C20H22BrN3O3 and a molecular weight of 432.32 g/mol. Its IUPAC name is 4-[(2S)-3-(3-bromocarbazol-9-yl)-2-hydroxypropyl]piperazine-1-carboxylic acid.

Molecular Properties

Compound Name4-[(2S)-3-(3-bromocarbazol-9-yl)-2-hydroxypropyl]piperazine-1-carboxylic acid
PubChem CID69284445
Molecular FormulaC20H22BrN3O3
Molecular Weight432.32 g/mol
Exact Mass431.08
IUPAC Name4-[(2S)-3-(3-bromocarbazol-9-yl)-2-hydroxypropyl]piperazine-1-carboxylic acid
SMILESO=C(O)N1CCN(C[C@H](O)Cn2c3ccccc3c3cc(Br)ccc32)CC1
InChIInChI=1S/C20H22BrN3O3/c21-14-5-6-19-17(11-14)16-3-1-2-4-18(16)24(19)13-15(25)12-22-7-9-23(10-8-22)20(26)27/h1-6,11,15,25H,7-10,12-13H2,(H,26,27)/t15-/m0/s1
InChIKeyLZFWTVGMJNIGPQ-HNNXBMFYSA-N
XLogP3.21
TPSA68.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.32
LogP ≤ 53.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(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-(3,6-dibromocarbazol-9-yl)propan-2-ol
CID 2851937
3-[4-[3-(3,6-dibromocarbazol-9-yl)-2-hydroxypropyl]piperazin-1-yl]propanoic acid
CID 166554678
1-(3-bromocarbazol-9-yl)-3-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]propan-2-ol
CID 66741784
(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
(2R)-1-(3,6-dibromocarbazol-9-yl)-3-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]propan-2-ol
CID 1097693
1-(2,7-dibromocarbazol-9-yl)-3-[4-[3-(2,7-dibromocarbazol-9-yl)-2-hydroxypropyl]piperazin-1-yl]propan-2-ol
CID 171985372
(2S)-1-(3,6-dibromocarbazol-9-yl)-3-piperazin-1-ylpropan-2-ol
CID 981054
1-[4-(3-carbazol-9-yl-2-hydroxypropyl)-1,4-diazepan-1-yl]propan-1-one
CID 87021906
3-[2-[4-[3-(3,6-dibromocarbazol-9-yl)-2-hydroxypropyl]piperazin-1-yl]ethoxy]propanoic acid
CID 166554838

Frequently Asked Questions

What is the IUPAC name of 4-[(2S)-3-(3-bromocarbazol-9-yl)-2-hydroxypropyl]piperazine-1-carboxylic acid?
The IUPAC name of 4-[(2S)-3-(3-bromocarbazol-9-yl)-2-hydroxypropyl]piperazine-1-carboxylic acid (CID 69284445) is 4-[(2S)-3-(3-bromocarbazol-9-yl)-2-hydroxypropyl]piperazine-1-carboxylic acid.
What is the SMILES notation for 4-[(2S)-3-(3-bromocarbazol-9-yl)-2-hydroxypropyl]piperazine-1-carboxylic acid?
The canonical SMILES for 4-[(2S)-3-(3-bromocarbazol-9-yl)-2-hydroxypropyl]piperazine-1-carboxylic acid is O=C(O)N1CCN(C[C@H](O)Cn2c3ccccc3c3cc(Br)ccc32)CC1.
What is the InChIKey of 4-[(2S)-3-(3-bromocarbazol-9-yl)-2-hydroxypropyl]piperazine-1-carboxylic acid?
The InChIKey is LZFWTVGMJNIGPQ-HNNXBMFYSA-N. The full InChI is InChI=1S/C20H22BrN3O3/c21-14-5-6-19-17(11-14)16-3-1-2-4-18(16)24(19)13-15(25)12-22-7-9-23(10-8-22)20(26)27/h1-6,11,15,25H,7-10,12-13H2,(H,26,27)/t15-/m0/s1.
What are the key properties of 4-[(2S)-3-(3-bromocarbazol-9-yl)-2-hydroxypropyl]piperazine-1-carboxylic acid?
4-[(2S)-3-(3-bromocarbazol-9-yl)-2-hydroxypropyl]piperazine-1-carboxylic acid has a molecular weight of 432.32 g/mol, XLogP of 3.21, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2S)-3-(3-bromocarbazol-9-yl)-2-hydroxypropyl]piperazine-1-carboxylic acid is sourced from PubChem (CID 69284445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).