3-[4-[6-fluoro-3-(4-fluorophenyl)-2,3-dihydro-1H-inden-1-yl]piperazin-1-yl]propan-1-ol

C22H26F2N2O — CID 13154770

IUPAC3-[4-[6-fluoro-3-(4-fluorophenyl)-2,3-dihydro-1H-inden-1-yl]piperazin-1-yl]propan-1-ol
SMILESOCCCN1CCN(C2CC(c3ccc(F)cc3)c3ccc(F)cc32)CC1
InChIInChI=1S/C22H26F2N2O/c23-17-4-2-16(3-5-17)20-15-22(21-14-18(24)6-7-19(20)21)26-11-9-25(10-12-26)8-1-13-27/h2-7,14,20,22,27H,1,8-13,15H2
InChIKeyKXICMPQIFSWGAF-UHFFFAOYSA-N
MW372.46 g/mol
LogP3.54
Rot. Bonds5

About 3-[4-[6-fluoro-3-(4-fluorophenyl)-2,3-dihydro-1H-inden-1-yl]piperazin-1-yl]propan-1-ol

3-[4-[6-fluoro-3-(4-fluorophenyl)-2,3-dihydro-1H-inden-1-yl]piperazin-1-yl]propan-1-ol (PubChem CID 13154770) has the molecular formula C22H26F2N2O and a molecular weight of 372.46 g/mol. Its IUPAC name is 3-[4-[6-fluoro-3-(4-fluorophenyl)-2,3-dihydro-1H-inden-1-yl]piperazin-1-yl]propan-1-ol.

Molecular Properties

Compound Name3-[4-[6-fluoro-3-(4-fluorophenyl)-2,3-dihydro-1H-inden-1-yl]piperazin-1-yl]propan-1-ol
PubChem CID13154770
Molecular FormulaC22H26F2N2O
Molecular Weight372.46 g/mol
Exact Mass372.20
IUPAC Name3-[4-[6-fluoro-3-(4-fluorophenyl)-2,3-dihydro-1H-inden-1-yl]piperazin-1-yl]propan-1-ol
SMILESOCCCN1CCN(C2CC(c3ccc(F)cc3)c3ccc(F)cc32)CC1
InChIInChI=1S/C22H26F2N2O/c23-17-4-2-16(3-5-17)20-15-22(21-14-18(24)6-7-19(20)21)26-11-9-25(10-12-26)8-1-13-27/h2-7,14,20,22,27H,1,8-13,15H2
InChIKeyKXICMPQIFSWGAF-UHFFFAOYSA-N
XLogP3.54
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.46
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[4-[6-fluoro-3-(4-fluorophenyl)-2,3-dihydro-1H-inden-1-yl]piperazin-1-yl]propan-1-ol?
The IUPAC name of 3-[4-[6-fluoro-3-(4-fluorophenyl)-2,3-dihydro-1H-inden-1-yl]piperazin-1-yl]propan-1-ol (CID 13154770) is 3-[4-[6-fluoro-3-(4-fluorophenyl)-2,3-dihydro-1H-inden-1-yl]piperazin-1-yl]propan-1-ol.
What is the SMILES notation for 3-[4-[6-fluoro-3-(4-fluorophenyl)-2,3-dihydro-1H-inden-1-yl]piperazin-1-yl]propan-1-ol?
The canonical SMILES for 3-[4-[6-fluoro-3-(4-fluorophenyl)-2,3-dihydro-1H-inden-1-yl]piperazin-1-yl]propan-1-ol is OCCCN1CCN(C2CC(c3ccc(F)cc3)c3ccc(F)cc32)CC1.
What is the InChIKey of 3-[4-[6-fluoro-3-(4-fluorophenyl)-2,3-dihydro-1H-inden-1-yl]piperazin-1-yl]propan-1-ol?
The InChIKey is KXICMPQIFSWGAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26F2N2O/c23-17-4-2-16(3-5-17)20-15-22(21-14-18(24)6-7-19(20)21)26-11-9-25(10-12-26)8-1-13-27/h2-7,14,20,22,27H,1,8-13,15H2.
What are the key properties of 3-[4-[6-fluoro-3-(4-fluorophenyl)-2,3-dihydro-1H-inden-1-yl]piperazin-1-yl]propan-1-ol?
3-[4-[6-fluoro-3-(4-fluorophenyl)-2,3-dihydro-1H-inden-1-yl]piperazin-1-yl]propan-1-ol has a molecular weight of 372.46 g/mol, XLogP of 3.54, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[6-fluoro-3-(4-fluorophenyl)-2,3-dihydro-1H-inden-1-yl]piperazin-1-yl]propan-1-ol is sourced from PubChem (CID 13154770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).