(2S)-1-(3,6-dichlorocarbazol-9-yl)-3-[4-(2-morpholin-4-ylethyl)piperazin-1-yl]propan-2-ol

C25H32Cl2N4O2 — CID 66742472

IUPAC(2S)-1-(3,6-dichlorocarbazol-9-yl)-3-[4-(2-morpholin-4-ylethyl)piperazin-1-yl]propan-2-ol
SMILESO[C@@H](CN1CCN(CCN2CCOCC2)CC1)Cn1c2ccc(Cl)cc2c2cc(Cl)ccc21
InChIInChI=1S/C25H32Cl2N4O2/c26-19-1-3-24-22(15-19)23-16-20(27)2-4-25(23)31(24)18-21(32)17-30-9-7-28(8-10-30)5-6-29-11-13-33-14-12-29/h1-4,15-16,21,32H,5-14,17-18H2/t21-/m0/s1
InChIKeyBDXHRUWKRDDCGK-NRFANRHFSA-N
MW491.46 g/mol
LogP3.41
Rot. Bonds7

About (2S)-1-(3,6-dichlorocarbazol-9-yl)-3-[4-(2-morpholin-4-ylethyl)piperazin-1-yl]propan-2-ol

(2S)-1-(3,6-dichlorocarbazol-9-yl)-3-[4-(2-morpholin-4-ylethyl)piperazin-1-yl]propan-2-ol (PubChem CID 66742472) has the molecular formula C25H32Cl2N4O2 and a molecular weight of 491.46 g/mol. Its IUPAC name is (2S)-1-(3,6-dichlorocarbazol-9-yl)-3-[4-(2-morpholin-4-ylethyl)piperazin-1-yl]propan-2-ol.

Molecular Properties

Compound Name(2S)-1-(3,6-dichlorocarbazol-9-yl)-3-[4-(2-morpholin-4-ylethyl)piperazin-1-yl]propan-2-ol
PubChem CID66742472
Molecular FormulaC25H32Cl2N4O2
Molecular Weight491.46 g/mol
Exact Mass490.19
IUPAC Name(2S)-1-(3,6-dichlorocarbazol-9-yl)-3-[4-(2-morpholin-4-ylethyl)piperazin-1-yl]propan-2-ol
SMILESO[C@@H](CN1CCN(CCN2CCOCC2)CC1)Cn1c2ccc(Cl)cc2c2cc(Cl)ccc21
InChIInChI=1S/C25H32Cl2N4O2/c26-19-1-3-24-22(15-19)23-16-20(27)2-4-25(23)31(24)18-21(32)17-30-9-7-28(8-10-30)5-6-29-11-13-33-14-12-29/h1-4,15-16,21,32H,5-14,17-18H2/t21-/m0/s1
InChIKeyBDXHRUWKRDDCGK-NRFANRHFSA-N
XLogP3.41
TPSA44.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500491.46
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(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
(2S)-1-(3,6-dichlorocarbazol-9-yl)-3-[4-(4-methylphenyl)piperazin-1-yl]propan-2-ol
CID 35726321
1-(3,6-dichlorocarbazol-9-yl)-3-piperazin-1-ylpropan-2-ol;dihydrochloride
CID 2729028
(2S)-1-(3,6-dichlorocarbazol-9-yl)-3-[(3S,5S)-3,5-dimethylpiperidin-1-yl]propan-2-ol
CID 7371788
1-(3-chlorocarbazol-9-yl)-3-piperazin-1-ylpropan-2-ol;dihydrochloride
CID 24836635
(2R)-1-[4-(4-chlorophenyl)piperazin-1-yl]-3-(3,6-dibromocarbazol-9-yl)propan-2-ol
CID 997579
hydron;1-morpholin-4-yl-3-(2,3,5-trimethylindol-1-yl)propan-2-ol;chloride
CID 648761
1-bromo-3-(3,6-dichlorocarbazol-9-yl)propan-2-ol
CID 4643646
(2R)-1-carbazol-9-yl-3-[4-(4-chlorophenyl)piperazin-1-yl]propan-2-ol
CID 1109966
1-carbazol-9-yl-3-[4-[(2,4-dichlorophenyl)methyl]piperazin-1-yl]propan-2-ol
CID 3752241
(2S)-1-carbazol-9-yl-3-[4-[(2,4-dichlorophenyl)methyl]piperazin-1-yl]propan-2-ol
CID 1385608

Frequently Asked Questions

What is the IUPAC name of (2S)-1-(3,6-dichlorocarbazol-9-yl)-3-[4-(2-morpholin-4-ylethyl)piperazin-1-yl]propan-2-ol?
The IUPAC name of (2S)-1-(3,6-dichlorocarbazol-9-yl)-3-[4-(2-morpholin-4-ylethyl)piperazin-1-yl]propan-2-ol (CID 66742472) is (2S)-1-(3,6-dichlorocarbazol-9-yl)-3-[4-(2-morpholin-4-ylethyl)piperazin-1-yl]propan-2-ol.
What is the SMILES notation for (2S)-1-(3,6-dichlorocarbazol-9-yl)-3-[4-(2-morpholin-4-ylethyl)piperazin-1-yl]propan-2-ol?
The canonical SMILES for (2S)-1-(3,6-dichlorocarbazol-9-yl)-3-[4-(2-morpholin-4-ylethyl)piperazin-1-yl]propan-2-ol is O[C@@H](CN1CCN(CCN2CCOCC2)CC1)Cn1c2ccc(Cl)cc2c2cc(Cl)ccc21.
What is the InChIKey of (2S)-1-(3,6-dichlorocarbazol-9-yl)-3-[4-(2-morpholin-4-ylethyl)piperazin-1-yl]propan-2-ol?
The InChIKey is BDXHRUWKRDDCGK-NRFANRHFSA-N. The full InChI is InChI=1S/C25H32Cl2N4O2/c26-19-1-3-24-22(15-19)23-16-20(27)2-4-25(23)31(24)18-21(32)17-30-9-7-28(8-10-30)5-6-29-11-13-33-14-12-29/h1-4,15-16,21,32H,5-14,17-18H2/t21-/m0/s1.
What are the key properties of (2S)-1-(3,6-dichlorocarbazol-9-yl)-3-[4-(2-morpholin-4-ylethyl)piperazin-1-yl]propan-2-ol?
(2S)-1-(3,6-dichlorocarbazol-9-yl)-3-[4-(2-morpholin-4-ylethyl)piperazin-1-yl]propan-2-ol has a molecular weight of 491.46 g/mol, XLogP of 3.41, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-(3,6-dichlorocarbazol-9-yl)-3-[4-(2-morpholin-4-ylethyl)piperazin-1-yl]propan-2-ol is sourced from PubChem (CID 66742472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).