1-[2-[1-(3,5-difluorophenyl)ethoxymethyl]-1,3-dihydroinden-2-yl]piperazine

C22H26F2N2O — CID 23147719

IUPAC1-[2-[1-(3,5-difluorophenyl)ethoxymethyl]-1,3-dihydroinden-2-yl]piperazine
SMILESCC(OCC1(N2CCNCC2)Cc2ccccc2C1)c1cc(F)cc(F)c1
InChIInChI=1S/C22H26F2N2O/c1-16(19-10-20(23)12-21(24)11-19)27-15-22(26-8-6-25-7-9-26)13-17-4-2-3-5-18(17)14-22/h2-5,10-12,16,25H,6-9,13-15H2,1H3
InChIKeyLCTLYJSTRHNYRH-UHFFFAOYSA-N
MW372.46 g/mol
LogP3.49
Rot. Bonds5

About 1-[2-[1-(3,5-difluorophenyl)ethoxymethyl]-1,3-dihydroinden-2-yl]piperazine

1-[2-[1-(3,5-difluorophenyl)ethoxymethyl]-1,3-dihydroinden-2-yl]piperazine (PubChem CID 23147719) has the molecular formula C22H26F2N2O and a molecular weight of 372.46 g/mol. Its IUPAC name is 1-[2-[1-(3,5-difluorophenyl)ethoxymethyl]-1,3-dihydroinden-2-yl]piperazine.

Molecular Properties

Compound Name1-[2-[1-(3,5-difluorophenyl)ethoxymethyl]-1,3-dihydroinden-2-yl]piperazine
PubChem CID23147719
Molecular FormulaC22H26F2N2O
Molecular Weight372.46 g/mol
Exact Mass372.20
IUPAC Name1-[2-[1-(3,5-difluorophenyl)ethoxymethyl]-1,3-dihydroinden-2-yl]piperazine
SMILESCC(OCC1(N2CCNCC2)Cc2ccccc2C1)c1cc(F)cc(F)c1
InChIInChI=1S/C22H26F2N2O/c1-16(19-10-20(23)12-21(24)11-19)27-15-22(26-8-6-25-7-9-26)13-17-4-2-3-5-18(17)14-22/h2-5,10-12,16,25H,6-9,13-15H2,1H3
InChIKeyLCTLYJSTRHNYRH-UHFFFAOYSA-N
XLogP3.49
TPSA24.50 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 ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[1-(3,5-difluorophenyl)ethoxymethyl]-1,3-dihydroinden-2-yl]piperazine?
The IUPAC name of 1-[2-[1-(3,5-difluorophenyl)ethoxymethyl]-1,3-dihydroinden-2-yl]piperazine (CID 23147719) is 1-[2-[1-(3,5-difluorophenyl)ethoxymethyl]-1,3-dihydroinden-2-yl]piperazine.
What is the SMILES notation for 1-[2-[1-(3,5-difluorophenyl)ethoxymethyl]-1,3-dihydroinden-2-yl]piperazine?
The canonical SMILES for 1-[2-[1-(3,5-difluorophenyl)ethoxymethyl]-1,3-dihydroinden-2-yl]piperazine is CC(OCC1(N2CCNCC2)Cc2ccccc2C1)c1cc(F)cc(F)c1.
What is the InChIKey of 1-[2-[1-(3,5-difluorophenyl)ethoxymethyl]-1,3-dihydroinden-2-yl]piperazine?
The InChIKey is LCTLYJSTRHNYRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26F2N2O/c1-16(19-10-20(23)12-21(24)11-19)27-15-22(26-8-6-25-7-9-26)13-17-4-2-3-5-18(17)14-22/h2-5,10-12,16,25H,6-9,13-15H2,1H3.
What are the key properties of 1-[2-[1-(3,5-difluorophenyl)ethoxymethyl]-1,3-dihydroinden-2-yl]piperazine?
1-[2-[1-(3,5-difluorophenyl)ethoxymethyl]-1,3-dihydroinden-2-yl]piperazine has a molecular weight of 372.46 g/mol, XLogP of 3.49, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[1-(3,5-difluorophenyl)ethoxymethyl]-1,3-dihydroinden-2-yl]piperazine is sourced from PubChem (CID 23147719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).