(2S)-1-(3,6-dibromocarbazol-9-yl)-3-[(2S,6S)-2,6-dimethylmorpholin-4-yl]propan-2-ol

C21H24Br2N2O2 — CID 7271909

IUPAC(2S)-1-(3,6-dibromocarbazol-9-yl)-3-[(2S,6S)-2,6-dimethylmorpholin-4-yl]propan-2-ol
SMILESC[C@H]1CN(C[C@H](O)Cn2c3ccc(Br)cc3c3cc(Br)ccc32)C[C@H](C)O1
InChIInChI=1S/C21H24Br2N2O2/c1-13-9-24(10-14(2)27-13)11-17(26)12-25-20-5-3-15(22)7-18(20)19-8-16(23)4-6-21(19)25/h3-8,13-14,17,26H,9-12H2,1-2H3/t13-,14-,17-/m0/s1
InChIKeyJYYUZJCGIJKDKE-ZQIUZPCESA-N
MW496.24 g/mol
LogP4.79
Rot. Bonds4

About (2S)-1-(3,6-dibromocarbazol-9-yl)-3-[(2S,6S)-2,6-dimethylmorpholin-4-yl]propan-2-ol

(2S)-1-(3,6-dibromocarbazol-9-yl)-3-[(2S,6S)-2,6-dimethylmorpholin-4-yl]propan-2-ol (PubChem CID 7271909) has the molecular formula C21H24Br2N2O2 and a molecular weight of 496.24 g/mol. Its IUPAC name is (2S)-1-(3,6-dibromocarbazol-9-yl)-3-[(2S,6S)-2,6-dimethylmorpholin-4-yl]propan-2-ol.

Molecular Properties

Compound Name(2S)-1-(3,6-dibromocarbazol-9-yl)-3-[(2S,6S)-2,6-dimethylmorpholin-4-yl]propan-2-ol
PubChem CID7271909
Molecular FormulaC21H24Br2N2O2
Molecular Weight496.24 g/mol
Exact Mass494.02
IUPAC Name(2S)-1-(3,6-dibromocarbazol-9-yl)-3-[(2S,6S)-2,6-dimethylmorpholin-4-yl]propan-2-ol
SMILESC[C@H]1CN(C[C@H](O)Cn2c3ccc(Br)cc3c3cc(Br)ccc32)C[C@H](C)O1
InChIInChI=1S/C21H24Br2N2O2/c1-13-9-24(10-14(2)27-13)11-17(26)12-25-20-5-3-15(22)7-18(20)19-8-16(23)4-6-21(19)25/h3-8,13-14,17,26H,9-12H2,1-2H3/t13-,14-,17-/m0/s1
InChIKeyJYYUZJCGIJKDKE-ZQIUZPCESA-N
XLogP4.79
TPSA37.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500496.24
LogP ≤ 54.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-1-(3,6-dibromocarbazol-9-yl)-3-piperazin-1-ylpropan-2-ol
CID 981054
(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
(2S)-1-(3,6-dibromocarbazol-9-yl)-3-piperazin-1-ylpropan-2-ol;dihydrochloride
CID 138107609
(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
1,3-bis(2,6-dimethylmorpholin-4-yl)propan-2-ol
CID 70522448
1-[4-[2-hydroxy-3-(1,3,6-tribromocarbazol-9-yl)propyl]piperazin-1-yl]-3-(1,3,6-tribromocarbazol-9-yl)propan-2-ol;dihydrochloride
CID 2775788
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-(3,6-dibromocarbazol-9-yl)-3-[4-(4-methylphenyl)piperazin-1-yl]propan-2-ol
CID 21234903
(2S)-1-(3,6-dichlorocarbazol-9-yl)-3-[(3S,5S)-3,5-dimethylpiperidin-1-yl]propan-2-ol
CID 7371788
1-(3-bromophenyl)-2-(2,6-dimethylmorpholin-4-yl)ethanol
CID 110885591

Frequently Asked Questions

What is the IUPAC name of (2S)-1-(3,6-dibromocarbazol-9-yl)-3-[(2S,6S)-2,6-dimethylmorpholin-4-yl]propan-2-ol?
The IUPAC name of (2S)-1-(3,6-dibromocarbazol-9-yl)-3-[(2S,6S)-2,6-dimethylmorpholin-4-yl]propan-2-ol (CID 7271909) is (2S)-1-(3,6-dibromocarbazol-9-yl)-3-[(2S,6S)-2,6-dimethylmorpholin-4-yl]propan-2-ol.
What is the SMILES notation for (2S)-1-(3,6-dibromocarbazol-9-yl)-3-[(2S,6S)-2,6-dimethylmorpholin-4-yl]propan-2-ol?
The canonical SMILES for (2S)-1-(3,6-dibromocarbazol-9-yl)-3-[(2S,6S)-2,6-dimethylmorpholin-4-yl]propan-2-ol is C[C@H]1CN(C[C@H](O)Cn2c3ccc(Br)cc3c3cc(Br)ccc32)C[C@H](C)O1.
What is the InChIKey of (2S)-1-(3,6-dibromocarbazol-9-yl)-3-[(2S,6S)-2,6-dimethylmorpholin-4-yl]propan-2-ol?
The InChIKey is JYYUZJCGIJKDKE-ZQIUZPCESA-N. The full InChI is InChI=1S/C21H24Br2N2O2/c1-13-9-24(10-14(2)27-13)11-17(26)12-25-20-5-3-15(22)7-18(20)19-8-16(23)4-6-21(19)25/h3-8,13-14,17,26H,9-12H2,1-2H3/t13-,14-,17-/m0/s1.
What are the key properties of (2S)-1-(3,6-dibromocarbazol-9-yl)-3-[(2S,6S)-2,6-dimethylmorpholin-4-yl]propan-2-ol?
(2S)-1-(3,6-dibromocarbazol-9-yl)-3-[(2S,6S)-2,6-dimethylmorpholin-4-yl]propan-2-ol has a molecular weight of 496.24 g/mol, XLogP of 4.79, 4 rotatable bonds, 1 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-[(2S,6S)-2,6-dimethylmorpholin-4-yl]propan-2-ol is sourced from PubChem (CID 7271909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).