1-[2-[[3,5-bis(trifluoromethyl)phenyl]methoxymethyl]-1,3-dihydroinden-2-yl]piperazine

C23H24F6N2O — CID 23147753

IUPAC1-[2-[[3,5-bis(trifluoromethyl)phenyl]methoxymethyl]-1,3-dihydroinden-2-yl]piperazine
SMILESFC(F)(F)c1cc(COCC2(N3CCNCC3)Cc3ccccc3C2)cc(C(F)(F)F)c1
InChIInChI=1S/C23H24F6N2O/c24-22(25,26)19-9-16(10-20(11-19)23(27,28)29)14-32-15-21(31-7-5-30-6-8-31)12-17-3-1-2-4-18(17)13-21/h1-4,9-11,30H,5-8,12-15H2
InChIKeyIKKMKAKXCGNIFH-UHFFFAOYSA-N
MW458.45 g/mol
LogP4.68
Rot. Bonds5

About 1-[2-[[3,5-bis(trifluoromethyl)phenyl]methoxymethyl]-1,3-dihydroinden-2-yl]piperazine

1-[2-[[3,5-bis(trifluoromethyl)phenyl]methoxymethyl]-1,3-dihydroinden-2-yl]piperazine (PubChem CID 23147753) has the molecular formula C23H24F6N2O and a molecular weight of 458.45 g/mol. Its IUPAC name is 1-[2-[[3,5-bis(trifluoromethyl)phenyl]methoxymethyl]-1,3-dihydroinden-2-yl]piperazine.

Molecular Properties

Compound Name1-[2-[[3,5-bis(trifluoromethyl)phenyl]methoxymethyl]-1,3-dihydroinden-2-yl]piperazine
PubChem CID23147753
Molecular FormulaC23H24F6N2O
Molecular Weight458.45 g/mol
Exact Mass458.18
IUPAC Name1-[2-[[3,5-bis(trifluoromethyl)phenyl]methoxymethyl]-1,3-dihydroinden-2-yl]piperazine
SMILESFC(F)(F)c1cc(COCC2(N3CCNCC3)Cc3ccccc3C2)cc(C(F)(F)F)c1
InChIInChI=1S/C23H24F6N2O/c24-22(25,26)19-9-16(10-20(11-19)23(27,28)29)14-32-15-21(31-7-5-30-6-8-31)12-17-3-1-2-4-18(17)13-21/h1-4,9-11,30H,5-8,12-15H2
InChIKeyIKKMKAKXCGNIFH-UHFFFAOYSA-N
XLogP4.68
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.45
LogP ≤ 54.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[[3,5-bis(trifluoromethyl)phenyl]methoxymethyl]-1,3-dihydroinden-2-yl]piperazine?
The IUPAC name of 1-[2-[[3,5-bis(trifluoromethyl)phenyl]methoxymethyl]-1,3-dihydroinden-2-yl]piperazine (CID 23147753) is 1-[2-[[3,5-bis(trifluoromethyl)phenyl]methoxymethyl]-1,3-dihydroinden-2-yl]piperazine.
What is the SMILES notation for 1-[2-[[3,5-bis(trifluoromethyl)phenyl]methoxymethyl]-1,3-dihydroinden-2-yl]piperazine?
The canonical SMILES for 1-[2-[[3,5-bis(trifluoromethyl)phenyl]methoxymethyl]-1,3-dihydroinden-2-yl]piperazine is FC(F)(F)c1cc(COCC2(N3CCNCC3)Cc3ccccc3C2)cc(C(F)(F)F)c1.
What is the InChIKey of 1-[2-[[3,5-bis(trifluoromethyl)phenyl]methoxymethyl]-1,3-dihydroinden-2-yl]piperazine?
The InChIKey is IKKMKAKXCGNIFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24F6N2O/c24-22(25,26)19-9-16(10-20(11-19)23(27,28)29)14-32-15-21(31-7-5-30-6-8-31)12-17-3-1-2-4-18(17)13-21/h1-4,9-11,30H,5-8,12-15H2.
What are the key properties of 1-[2-[[3,5-bis(trifluoromethyl)phenyl]methoxymethyl]-1,3-dihydroinden-2-yl]piperazine?
1-[2-[[3,5-bis(trifluoromethyl)phenyl]methoxymethyl]-1,3-dihydroinden-2-yl]piperazine has a molecular weight of 458.45 g/mol, XLogP of 4.68, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[[3,5-bis(trifluoromethyl)phenyl]methoxymethyl]-1,3-dihydroinden-2-yl]piperazine is sourced from PubChem (CID 23147753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).