(2R)-1-carbazol-9-yl-3-[4-(4-chlorophenyl)piperazin-1-yl]propan-2-ol

C25H26ClN3O — CID 1109966

IUPAC(2R)-1-carbazol-9-yl-3-[4-(4-chlorophenyl)piperazin-1-yl]propan-2-ol
SMILESO[C@H](CN1CCN(c2ccc(Cl)cc2)CC1)Cn1c2ccccc2c2ccccc21
InChIInChI=1S/C25H26ClN3O/c26-19-9-11-20(12-10-19)28-15-13-27(14-16-28)17-21(30)18-29-24-7-3-1-5-22(24)23-6-2-4-8-25(23)29/h1-12,21,30H,13-18H2/t21-/m1/s1
InChIKeyINWRMIQYDWMJCZ-OAQYLSRUSA-N
MW419.96 g/mol
LogP4.63
Rot. Bonds5

About (2R)-1-carbazol-9-yl-3-[4-(4-chlorophenyl)piperazin-1-yl]propan-2-ol

(2R)-1-carbazol-9-yl-3-[4-(4-chlorophenyl)piperazin-1-yl]propan-2-ol (PubChem CID 1109966) has the molecular formula C25H26ClN3O and a molecular weight of 419.96 g/mol. Its IUPAC name is (2R)-1-carbazol-9-yl-3-[4-(4-chlorophenyl)piperazin-1-yl]propan-2-ol.

Molecular Properties

Compound Name(2R)-1-carbazol-9-yl-3-[4-(4-chlorophenyl)piperazin-1-yl]propan-2-ol
PubChem CID1109966
Molecular FormulaC25H26ClN3O
Molecular Weight419.96 g/mol
Exact Mass419.18
IUPAC Name(2R)-1-carbazol-9-yl-3-[4-(4-chlorophenyl)piperazin-1-yl]propan-2-ol
SMILESO[C@H](CN1CCN(c2ccc(Cl)cc2)CC1)Cn1c2ccccc2c2ccccc21
InChIInChI=1S/C25H26ClN3O/c26-19-9-11-20(12-10-19)28-15-13-27(14-16-28)17-21(30)18-29-24-7-3-1-5-22(24)23-6-2-4-8-25(23)29/h1-12,21,30H,13-18H2/t21-/m1/s1
InChIKeyINWRMIQYDWMJCZ-OAQYLSRUSA-N
XLogP4.63
TPSA31.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.96
LogP ≤ 54.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-1-[4-(4-chlorophenyl)piperazin-1-yl]-3-(3,6-dibromocarbazol-9-yl)propan-2-ol
CID 997579
(2S)-1-(3,6-dichlorocarbazol-9-yl)-3-[4-(4-methylphenyl)piperazin-1-yl]propan-2-ol
CID 35726321
1-(4-benzylpiperazin-1-yl)-3-carbazol-9-ylpropan-2-ol
CID 2841332
(2S)-1-carbazol-9-yl-3-[4-[(2,4-dichlorophenyl)methyl]piperazin-1-yl]propan-2-ol
CID 1385608
1-carbazol-9-yl-3-[4-[(2,4-dichlorophenyl)methyl]piperazin-1-yl]propan-2-ol
CID 3752241
4-[(2R)-3-carbazol-9-yl-2-hydroxypropyl]-N-(4-chlorophenyl)piperazine-1-carboxamide
CID 42589308
(2R)-1-carbazol-9-yl-3-[4-(2-hydroxyethyl)piperazin-1-yl]propan-2-ol
CID 7111367
1-(3-chlorocarbazol-9-yl)-3-piperazin-1-ylpropan-2-ol;dihydrochloride
CID 24836635
(2S)-1-[4-(4-chlorophenyl)piperazin-1-yl]-3-phenylsulfanylpropan-2-ol
CID 92856413
1-carbazol-9-yl-3-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]propan-2-ol
CID 66742656
(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

Frequently Asked Questions

What is the IUPAC name of (2R)-1-carbazol-9-yl-3-[4-(4-chlorophenyl)piperazin-1-yl]propan-2-ol?
The IUPAC name of (2R)-1-carbazol-9-yl-3-[4-(4-chlorophenyl)piperazin-1-yl]propan-2-ol (CID 1109966) is (2R)-1-carbazol-9-yl-3-[4-(4-chlorophenyl)piperazin-1-yl]propan-2-ol.
What is the SMILES notation for (2R)-1-carbazol-9-yl-3-[4-(4-chlorophenyl)piperazin-1-yl]propan-2-ol?
The canonical SMILES for (2R)-1-carbazol-9-yl-3-[4-(4-chlorophenyl)piperazin-1-yl]propan-2-ol is O[C@H](CN1CCN(c2ccc(Cl)cc2)CC1)Cn1c2ccccc2c2ccccc21.
What is the InChIKey of (2R)-1-carbazol-9-yl-3-[4-(4-chlorophenyl)piperazin-1-yl]propan-2-ol?
The InChIKey is INWRMIQYDWMJCZ-OAQYLSRUSA-N. The full InChI is InChI=1S/C25H26ClN3O/c26-19-9-11-20(12-10-19)28-15-13-27(14-16-28)17-21(30)18-29-24-7-3-1-5-22(24)23-6-2-4-8-25(23)29/h1-12,21,30H,13-18H2/t21-/m1/s1.
What are the key properties of (2R)-1-carbazol-9-yl-3-[4-(4-chlorophenyl)piperazin-1-yl]propan-2-ol?
(2R)-1-carbazol-9-yl-3-[4-(4-chlorophenyl)piperazin-1-yl]propan-2-ol has a molecular weight of 419.96 g/mol, XLogP of 4.63, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-carbazol-9-yl-3-[4-(4-chlorophenyl)piperazin-1-yl]propan-2-ol is sourced from PubChem (CID 1109966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).