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

C26H28FN3O — CID 66742656

IUPAC1-carbazol-9-yl-3-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]propan-2-ol
SMILESOC(CN1CCN(Cc2ccccc2F)CC1)Cn1c2ccccc2c2ccccc21
InChIInChI=1S/C26H28FN3O/c27-24-10-4-1-7-20(24)17-28-13-15-29(16-14-28)18-21(31)19-30-25-11-5-2-8-22(25)23-9-3-6-12-26(23)30/h1-12,21,31H,13-19H2
InChIKeyDGALOACLLVQTFP-UHFFFAOYSA-N
MW417.53 g/mol
LogP4.11
Rot. Bonds6

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

1-carbazol-9-yl-3-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]propan-2-ol (PubChem CID 66742656) has the molecular formula C26H28FN3O and a molecular weight of 417.53 g/mol. Its IUPAC name is 1-carbazol-9-yl-3-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]propan-2-ol.

Molecular Properties

Compound Name1-carbazol-9-yl-3-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]propan-2-ol
PubChem CID66742656
Molecular FormulaC26H28FN3O
Molecular Weight417.53 g/mol
Exact Mass417.22
IUPAC Name1-carbazol-9-yl-3-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]propan-2-ol
SMILESOC(CN1CCN(Cc2ccccc2F)CC1)Cn1c2ccccc2c2ccccc21
InChIInChI=1S/C26H28FN3O/c27-24-10-4-1-7-20(24)17-28-13-15-29(16-14-28)18-21(31)19-30-25-11-5-2-8-22(25)23-9-3-6-12-26(23)30/h1-12,21,31H,13-19H2
InChIKeyDGALOACLLVQTFP-UHFFFAOYSA-N
XLogP4.11
TPSA31.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.53
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-benzylpiperazin-1-yl)-3-carbazol-9-ylpropan-2-ol
CID 2841332
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
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
(2R)-1-carbazol-9-yl-3-[4-(4-chlorophenyl)piperazin-1-yl]propan-2-ol
CID 1109966
1-carbazol-9-yl-3-[4-(2,2,2-trifluoroethyl)-1,4-diazepan-1-yl]propan-2-ol
CID 112826175
1-(3-bromocarbazol-9-yl)-3-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]propan-2-ol
CID 66741784
(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
(2R)-1-(4-benzylpiperazin-1-yl)-3-(2,3-dimethylindol-1-yl)propan-2-ol;oxalic acid
CID 21235149
1-[4-(3-carbazol-9-yl-2-hydroxypropyl)-1,4-diazepan-1-yl]propan-1-one
CID 87021906

Frequently Asked Questions

What is the IUPAC name of 1-carbazol-9-yl-3-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]propan-2-ol?
The IUPAC name of 1-carbazol-9-yl-3-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]propan-2-ol (CID 66742656) is 1-carbazol-9-yl-3-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]propan-2-ol.
What is the SMILES notation for 1-carbazol-9-yl-3-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]propan-2-ol?
The canonical SMILES for 1-carbazol-9-yl-3-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]propan-2-ol is OC(CN1CCN(Cc2ccccc2F)CC1)Cn1c2ccccc2c2ccccc21.
What is the InChIKey of 1-carbazol-9-yl-3-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]propan-2-ol?
The InChIKey is DGALOACLLVQTFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28FN3O/c27-24-10-4-1-7-20(24)17-28-13-15-29(16-14-28)18-21(31)19-30-25-11-5-2-8-22(25)23-9-3-6-12-26(23)30/h1-12,21,31H,13-19H2.
What are the key properties of 1-carbazol-9-yl-3-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]propan-2-ol?
1-carbazol-9-yl-3-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]propan-2-ol has a molecular weight of 417.53 g/mol, XLogP of 4.11, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-carbazol-9-yl-3-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]propan-2-ol is sourced from PubChem (CID 66742656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).