(2R)-1-[4-(4-chlorophenyl)piperazin-1-yl]-3-(3,6-dibromocarbazol-9-yl)propan-2-ol

C25H24Br2ClN3O — CID 997579

IUPAC(2R)-1-[4-(4-chlorophenyl)piperazin-1-yl]-3-(3,6-dibromocarbazol-9-yl)propan-2-ol
SMILESO[C@H](CN1CCN(c2ccc(Cl)cc2)CC1)Cn1c2ccc(Br)cc2c2cc(Br)ccc21
InChIInChI=1S/C25H24Br2ClN3O/c26-17-1-7-24-22(13-17)23-14-18(27)2-8-25(23)31(24)16-21(32)15-29-9-11-30(12-10-29)20-5-3-19(28)4-6-20/h1-8,13-14,21,32H,9-12,15-16H2/t21-/m1/s1
InChIKeyZZAHSUXXKPZJRM-OAQYLSRUSA-N
MW577.75 g/mol
LogP6.16
Rot. Bonds5

About (2R)-1-[4-(4-chlorophenyl)piperazin-1-yl]-3-(3,6-dibromocarbazol-9-yl)propan-2-ol

(2R)-1-[4-(4-chlorophenyl)piperazin-1-yl]-3-(3,6-dibromocarbazol-9-yl)propan-2-ol (PubChem CID 997579) has the molecular formula C25H24Br2ClN3O and a molecular weight of 577.75 g/mol. Its IUPAC name is (2R)-1-[4-(4-chlorophenyl)piperazin-1-yl]-3-(3,6-dibromocarbazol-9-yl)propan-2-ol.

Molecular Properties

Compound Name(2R)-1-[4-(4-chlorophenyl)piperazin-1-yl]-3-(3,6-dibromocarbazol-9-yl)propan-2-ol
PubChem CID997579
Molecular FormulaC25H24Br2ClN3O
Molecular Weight577.75 g/mol
Exact Mass575.00
IUPAC Name(2R)-1-[4-(4-chlorophenyl)piperazin-1-yl]-3-(3,6-dibromocarbazol-9-yl)propan-2-ol
SMILESO[C@H](CN1CCN(c2ccc(Cl)cc2)CC1)Cn1c2ccc(Br)cc2c2cc(Br)ccc21
InChIInChI=1S/C25H24Br2ClN3O/c26-17-1-7-24-22(13-17)23-14-18(27)2-8-25(23)31(24)16-21(32)15-29-9-11-30(12-10-29)20-5-3-19(28)4-6-20/h1-8,13-14,21,32H,9-12,15-16H2/t21-/m1/s1
InChIKeyZZAHSUXXKPZJRM-OAQYLSRUSA-N
XLogP6.16
TPSA31.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500577.75
LogP ≤ 56.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3,6-dibromocarbazol-9-yl)-3-[4-(4-methylphenyl)piperazin-1-yl]propan-2-ol
CID 21234903
(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
(2R)-1-carbazol-9-yl-3-[4-(4-chlorophenyl)piperazin-1-yl]propan-2-ol
CID 1109966
(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
(2S)-1-(3,6-dibromocarbazol-9-yl)-3-piperazin-1-ylpropan-2-ol
CID 981054
(2S)-1-(3,6-dibromocarbazol-9-yl)-3-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]propan-2-ol
CID 69282541
(2S)-1-(3,6-dibromocarbazol-9-yl)-3-piperazin-1-ylpropan-2-ol;dihydrochloride
CID 138107609
3-[4-[3-(3,6-dibromocarbazol-9-yl)-2-hydroxypropyl]piperazin-1-yl]propanoic acid
CID 166554678

Frequently Asked Questions

What is the IUPAC name of (2R)-1-[4-(4-chlorophenyl)piperazin-1-yl]-3-(3,6-dibromocarbazol-9-yl)propan-2-ol?
The IUPAC name of (2R)-1-[4-(4-chlorophenyl)piperazin-1-yl]-3-(3,6-dibromocarbazol-9-yl)propan-2-ol (CID 997579) is (2R)-1-[4-(4-chlorophenyl)piperazin-1-yl]-3-(3,6-dibromocarbazol-9-yl)propan-2-ol.
What is the SMILES notation for (2R)-1-[4-(4-chlorophenyl)piperazin-1-yl]-3-(3,6-dibromocarbazol-9-yl)propan-2-ol?
The canonical SMILES for (2R)-1-[4-(4-chlorophenyl)piperazin-1-yl]-3-(3,6-dibromocarbazol-9-yl)propan-2-ol is O[C@H](CN1CCN(c2ccc(Cl)cc2)CC1)Cn1c2ccc(Br)cc2c2cc(Br)ccc21.
What is the InChIKey of (2R)-1-[4-(4-chlorophenyl)piperazin-1-yl]-3-(3,6-dibromocarbazol-9-yl)propan-2-ol?
The InChIKey is ZZAHSUXXKPZJRM-OAQYLSRUSA-N. The full InChI is InChI=1S/C25H24Br2ClN3O/c26-17-1-7-24-22(13-17)23-14-18(27)2-8-25(23)31(24)16-21(32)15-29-9-11-30(12-10-29)20-5-3-19(28)4-6-20/h1-8,13-14,21,32H,9-12,15-16H2/t21-/m1/s1.
What are the key properties of (2R)-1-[4-(4-chlorophenyl)piperazin-1-yl]-3-(3,6-dibromocarbazol-9-yl)propan-2-ol?
(2R)-1-[4-(4-chlorophenyl)piperazin-1-yl]-3-(3,6-dibromocarbazol-9-yl)propan-2-ol has a molecular weight of 577.75 g/mol, XLogP of 6.16, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-[4-(4-chlorophenyl)piperazin-1-yl]-3-(3,6-dibromocarbazol-9-yl)propan-2-ol is sourced from PubChem (CID 997579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).