(2S)-1-carbazol-9-yl-3-[4-[(2,4-dichlorophenyl)methyl]piperazin-1-yl]propan-2-ol

C26H27Cl2N3O — CID 1385608

IUPAC(2S)-1-carbazol-9-yl-3-[4-[(2,4-dichlorophenyl)methyl]piperazin-1-yl]propan-2-ol
SMILESO[C@@H](CN1CCN(Cc2ccc(Cl)cc2Cl)CC1)Cn1c2ccccc2c2ccccc21
InChIInChI=1S/C26H27Cl2N3O/c27-20-10-9-19(24(28)15-20)16-29-11-13-30(14-12-29)17-21(32)18-31-25-7-3-1-5-22(25)23-6-2-4-8-26(23)31/h1-10,15,21,32H,11-14,16-18H2/t21-/m0/s1
InChIKeyWJYSGRZSOSVSBB-NRFANRHFSA-N
MW468.43 g/mol
LogP5.28
Rot. Bonds6

About (2S)-1-carbazol-9-yl-3-[4-[(2,4-dichlorophenyl)methyl]piperazin-1-yl]propan-2-ol

(2S)-1-carbazol-9-yl-3-[4-[(2,4-dichlorophenyl)methyl]piperazin-1-yl]propan-2-ol (PubChem CID 1385608) has the molecular formula C26H27Cl2N3O and a molecular weight of 468.43 g/mol. Its IUPAC name is (2S)-1-carbazol-9-yl-3-[4-[(2,4-dichlorophenyl)methyl]piperazin-1-yl]propan-2-ol.

Molecular Properties

Compound Name(2S)-1-carbazol-9-yl-3-[4-[(2,4-dichlorophenyl)methyl]piperazin-1-yl]propan-2-ol
PubChem CID1385608
Molecular FormulaC26H27Cl2N3O
Molecular Weight468.43 g/mol
Exact Mass467.15
IUPAC Name(2S)-1-carbazol-9-yl-3-[4-[(2,4-dichlorophenyl)methyl]piperazin-1-yl]propan-2-ol
SMILESO[C@@H](CN1CCN(Cc2ccc(Cl)cc2Cl)CC1)Cn1c2ccccc2c2ccccc21
InChIInChI=1S/C26H27Cl2N3O/c27-20-10-9-19(24(28)15-20)16-29-11-13-30(14-12-29)17-21(32)18-31-25-7-3-1-5-22(25)23-6-2-4-8-26(23)31/h1-10,15,21,32H,11-14,16-18H2/t21-/m0/s1
InChIKeyWJYSGRZSOSVSBB-NRFANRHFSA-N
XLogP5.28
TPSA31.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500468.43
LogP ≤ 55.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-carbazol-9-yl-3-[4-[(2,4-dichlorophenyl)methyl]piperazin-1-yl]propan-2-ol
CID 3752241
1-carbazol-9-yl-3-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]propan-2-ol
CID 66742656
1-(4-benzylpiperazin-1-yl)-3-carbazol-9-ylpropan-2-ol
CID 2841332
(2R)-1-carbazol-9-yl-3-[4-(4-chlorophenyl)piperazin-1-yl]propan-2-ol
CID 1109966
1-(3-chlorocarbazol-9-yl)-3-piperazin-1-ylpropan-2-ol;dihydrochloride
CID 24836635
3-chloro-10-(2-hydroxy-3-pyrrolidin-1-ylpropyl)acridin-9-one
CID 54613243
1-carbazol-9-yl-3-[4-[(5-fluoro-2-methoxyphenyl)methyl]piperazin-1-yl]propan-2-ol
CID 23884211
(2R)-1-carbazol-9-yl-3-[4-(2-hydroxyethyl)piperazin-1-yl]propan-2-ol
CID 7111367
1-(3-bromocarbazol-9-yl)-3-[4-(3-carbazol-9-yl-2-hydroxypropyl)piperazin-1-yl]propan-2-ol
CID 3098890
4-[(2R)-3-carbazol-9-yl-2-hydroxypropyl]-N-(4-chlorophenyl)piperazine-1-carboxamide
CID 42589308
(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-[4-[(2R)-3-(3,6-dibromocarbazol-9-yl)-2-hydroxypropyl]piperazin-1-yl]-3-(3,6-dichlorocarbazol-9-yl)propan-2-ol
CID 99707929

Frequently Asked Questions

What is the IUPAC name of (2S)-1-carbazol-9-yl-3-[4-[(2,4-dichlorophenyl)methyl]piperazin-1-yl]propan-2-ol?
The IUPAC name of (2S)-1-carbazol-9-yl-3-[4-[(2,4-dichlorophenyl)methyl]piperazin-1-yl]propan-2-ol (CID 1385608) is (2S)-1-carbazol-9-yl-3-[4-[(2,4-dichlorophenyl)methyl]piperazin-1-yl]propan-2-ol.
What is the SMILES notation for (2S)-1-carbazol-9-yl-3-[4-[(2,4-dichlorophenyl)methyl]piperazin-1-yl]propan-2-ol?
The canonical SMILES for (2S)-1-carbazol-9-yl-3-[4-[(2,4-dichlorophenyl)methyl]piperazin-1-yl]propan-2-ol is O[C@@H](CN1CCN(Cc2ccc(Cl)cc2Cl)CC1)Cn1c2ccccc2c2ccccc21.
What is the InChIKey of (2S)-1-carbazol-9-yl-3-[4-[(2,4-dichlorophenyl)methyl]piperazin-1-yl]propan-2-ol?
The InChIKey is WJYSGRZSOSVSBB-NRFANRHFSA-N. The full InChI is InChI=1S/C26H27Cl2N3O/c27-20-10-9-19(24(28)15-20)16-29-11-13-30(14-12-29)17-21(32)18-31-25-7-3-1-5-22(25)23-6-2-4-8-26(23)31/h1-10,15,21,32H,11-14,16-18H2/t21-/m0/s1.
What are the key properties of (2S)-1-carbazol-9-yl-3-[4-[(2,4-dichlorophenyl)methyl]piperazin-1-yl]propan-2-ol?
(2S)-1-carbazol-9-yl-3-[4-[(2,4-dichlorophenyl)methyl]piperazin-1-yl]propan-2-ol has a molecular weight of 468.43 g/mol, XLogP of 5.28, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-carbazol-9-yl-3-[4-[(2,4-dichlorophenyl)methyl]piperazin-1-yl]propan-2-ol is sourced from PubChem (CID 1385608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).