1,1,1-trifluoro-2-(1-phenylindazol-5-yl)-3-piperazin-1-ylpropan-2-ol

C20H21F3N4O — CID 15980943

IUPAC1,1,1-trifluoro-2-(1-phenylindazol-5-yl)-3-piperazin-1-ylpropan-2-ol
SMILESOC(CN1CCNCC1)(c1ccc2c(cnn2-c2ccccc2)c1)C(F)(F)F
InChIInChI=1S/C20H21F3N4O/c21-20(22,23)19(28,14-26-10-8-24-9-11-26)16-6-7-18-15(12-16)13-25-27(18)17-4-2-1-3-5-17/h1-7,12-13,24,28H,8-11,14H2
InChIKeyYYCUKSCTNFXIJG-UHFFFAOYSA-N
MW390.41 g/mol
LogP2.68
Rot. Bonds4

About 1,1,1-trifluoro-2-(1-phenylindazol-5-yl)-3-piperazin-1-ylpropan-2-ol

1,1,1-trifluoro-2-(1-phenylindazol-5-yl)-3-piperazin-1-ylpropan-2-ol (PubChem CID 15980943) has the molecular formula C20H21F3N4O and a molecular weight of 390.41 g/mol. Its IUPAC name is 1,1,1-trifluoro-2-(1-phenylindazol-5-yl)-3-piperazin-1-ylpropan-2-ol.

Molecular Properties

Compound Name1,1,1-trifluoro-2-(1-phenylindazol-5-yl)-3-piperazin-1-ylpropan-2-ol
PubChem CID15980943
Molecular FormulaC20H21F3N4O
Molecular Weight390.41 g/mol
Exact Mass390.17
IUPAC Name1,1,1-trifluoro-2-(1-phenylindazol-5-yl)-3-piperazin-1-ylpropan-2-ol
SMILESOC(CN1CCNCC1)(c1ccc2c(cnn2-c2ccccc2)c1)C(F)(F)F
InChIInChI=1S/C20H21F3N4O/c21-20(22,23)19(28,14-26-10-8-24-9-11-26)16-6-7-18-15(12-16)13-25-27(18)17-4-2-1-3-5-17/h1-7,12-13,24,28H,8-11,14H2
InChIKeyYYCUKSCTNFXIJG-UHFFFAOYSA-N
XLogP2.68
TPSA53.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.41
LogP ≤ 52.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1,1,1-trifluoro-2-(1-phenylindazol-5-yl)-3-piperazin-1-ylpropan-2-ol?
The IUPAC name of 1,1,1-trifluoro-2-(1-phenylindazol-5-yl)-3-piperazin-1-ylpropan-2-ol (CID 15980943) is 1,1,1-trifluoro-2-(1-phenylindazol-5-yl)-3-piperazin-1-ylpropan-2-ol.
What is the SMILES notation for 1,1,1-trifluoro-2-(1-phenylindazol-5-yl)-3-piperazin-1-ylpropan-2-ol?
The canonical SMILES for 1,1,1-trifluoro-2-(1-phenylindazol-5-yl)-3-piperazin-1-ylpropan-2-ol is OC(CN1CCNCC1)(c1ccc2c(cnn2-c2ccccc2)c1)C(F)(F)F.
What is the InChIKey of 1,1,1-trifluoro-2-(1-phenylindazol-5-yl)-3-piperazin-1-ylpropan-2-ol?
The InChIKey is YYCUKSCTNFXIJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21F3N4O/c21-20(22,23)19(28,14-26-10-8-24-9-11-26)16-6-7-18-15(12-16)13-25-27(18)17-4-2-1-3-5-17/h1-7,12-13,24,28H,8-11,14H2.
What are the key properties of 1,1,1-trifluoro-2-(1-phenylindazol-5-yl)-3-piperazin-1-ylpropan-2-ol?
1,1,1-trifluoro-2-(1-phenylindazol-5-yl)-3-piperazin-1-ylpropan-2-ol has a molecular weight of 390.41 g/mol, XLogP of 2.68, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1-trifluoro-2-(1-phenylindazol-5-yl)-3-piperazin-1-ylpropan-2-ol is sourced from PubChem (CID 15980943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).