1-(3-bromocarbazol-9-yl)-3-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]propan-2-ol

C26H27BrFN3O — CID 66741784

IUPAC1-(3-bromocarbazol-9-yl)-3-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]propan-2-ol
SMILESOC(CN1CCN(Cc2ccc(F)cc2)CC1)Cn1c2ccccc2c2cc(Br)ccc21
InChIInChI=1S/C26H27BrFN3O/c27-20-7-10-26-24(15-20)23-3-1-2-4-25(23)31(26)18-22(32)17-30-13-11-29(12-14-30)16-19-5-8-21(28)9-6-19/h1-10,15,22,32H,11-14,16-18H2
InChIKeyOVZVVMJLKNKWJM-UHFFFAOYSA-N
MW496.42 g/mol
LogP4.87
Rot. Bonds6

About 1-(3-bromocarbazol-9-yl)-3-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]propan-2-ol

1-(3-bromocarbazol-9-yl)-3-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]propan-2-ol (PubChem CID 66741784) has the molecular formula C26H27BrFN3O and a molecular weight of 496.42 g/mol. Its IUPAC name is 1-(3-bromocarbazol-9-yl)-3-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]propan-2-ol.

Molecular Properties

Compound Name1-(3-bromocarbazol-9-yl)-3-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]propan-2-ol
PubChem CID66741784
Molecular FormulaC26H27BrFN3O
Molecular Weight496.42 g/mol
Exact Mass495.13
IUPAC Name1-(3-bromocarbazol-9-yl)-3-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]propan-2-ol
SMILESOC(CN1CCN(Cc2ccc(F)cc2)CC1)Cn1c2ccccc2c2cc(Br)ccc21
InChIInChI=1S/C26H27BrFN3O/c27-20-7-10-26-24(15-20)23-3-1-2-4-25(23)31(26)18-22(32)17-30-13-11-29(12-14-30)16-19-5-8-21(28)9-6-19/h1-10,15,22,32H,11-14,16-18H2
InChIKeyOVZVVMJLKNKWJM-UHFFFAOYSA-N
XLogP4.87
TPSA31.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500496.42
LogP ≤ 54.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-1-(3,6-dibromocarbazol-9-yl)-3-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]propan-2-ol
CID 69282541
1-(4-benzylpiperazin-1-yl)-3-(3,6-dibromocarbazol-9-yl)propan-2-ol
CID 2851937
(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-carbazol-9-ylpropan-2-ol
CID 2841332
4-[(2S)-3-(3-bromocarbazol-9-yl)-2-hydroxypropyl]piperazine-1-carboxylic acid
CID 69284445
(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-dibromocarbazol-9-yl)-3-piperazin-1-ylpropan-2-ol
CID 981054
1-carbazol-9-yl-3-[4-[(5-fluoro-2-methoxyphenyl)methyl]piperazin-1-yl]propan-2-ol
CID 23884211
(2S)-1-(3,6-dibromocarbazol-9-yl)-3-piperazin-1-ylpropan-2-ol;dihydrochloride
CID 138107609
1-(2,7-dibromocarbazol-9-yl)-3-[4-[3-(2,7-dibromocarbazol-9-yl)-2-hydroxypropyl]piperazin-1-yl]propan-2-ol
CID 171985372

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromocarbazol-9-yl)-3-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]propan-2-ol?
The IUPAC name of 1-(3-bromocarbazol-9-yl)-3-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]propan-2-ol (CID 66741784) is 1-(3-bromocarbazol-9-yl)-3-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]propan-2-ol.
What is the SMILES notation for 1-(3-bromocarbazol-9-yl)-3-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]propan-2-ol?
The canonical SMILES for 1-(3-bromocarbazol-9-yl)-3-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]propan-2-ol is OC(CN1CCN(Cc2ccc(F)cc2)CC1)Cn1c2ccccc2c2cc(Br)ccc21.
What is the InChIKey of 1-(3-bromocarbazol-9-yl)-3-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]propan-2-ol?
The InChIKey is OVZVVMJLKNKWJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27BrFN3O/c27-20-7-10-26-24(15-20)23-3-1-2-4-25(23)31(26)18-22(32)17-30-13-11-29(12-14-30)16-19-5-8-21(28)9-6-19/h1-10,15,22,32H,11-14,16-18H2.
What are the key properties of 1-(3-bromocarbazol-9-yl)-3-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]propan-2-ol?
1-(3-bromocarbazol-9-yl)-3-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]propan-2-ol has a molecular weight of 496.42 g/mol, XLogP of 4.87, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromocarbazol-9-yl)-3-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]propan-2-ol is sourced from PubChem (CID 66741784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).