2-[4-[5-fluoro-3-(4-fluorophenyl)-2,3-dihydro-1H-inden-1-yl]piperazin-1-yl]ethanol;dihydrochloride

C21H26Cl2F2N2O — CID 52942993

IUPAC2-[4-[5-fluoro-3-(4-fluorophenyl)-2,3-dihydro-1H-inden-1-yl]piperazin-1-yl]ethanol;dihydrochloride
SMILESCl.Cl.OCCN1CCN(C2CC(c3ccc(F)cc3)c3cc(F)ccc32)CC1
InChIInChI=1S/C21H24F2N2O.2ClH/c22-16-3-1-15(2-4-16)19-14-21(18-6-5-17(23)13-20(18)19)25-9-7-24(8-10-25)11-12-26;;/h1-6,13,19,21,26H,7-12,14H2;2*1H
InChIKeyISURRERGIGKGPT-UHFFFAOYSA-N
MW431.35 g/mol
LogP3.99
Rot. Bonds4

About 2-[4-[5-fluoro-3-(4-fluorophenyl)-2,3-dihydro-1H-inden-1-yl]piperazin-1-yl]ethanol;dihydrochloride

2-[4-[5-fluoro-3-(4-fluorophenyl)-2,3-dihydro-1H-inden-1-yl]piperazin-1-yl]ethanol;dihydrochloride (PubChem CID 52942993) has the molecular formula C21H26Cl2F2N2O and a molecular weight of 431.35 g/mol. Its IUPAC name is 2-[4-[5-fluoro-3-(4-fluorophenyl)-2,3-dihydro-1H-inden-1-yl]piperazin-1-yl]ethanol;dihydrochloride.

Molecular Properties

Compound Name2-[4-[5-fluoro-3-(4-fluorophenyl)-2,3-dihydro-1H-inden-1-yl]piperazin-1-yl]ethanol;dihydrochloride
PubChem CID52942993
Molecular FormulaC21H26Cl2F2N2O
Molecular Weight431.35 g/mol
Exact Mass430.14
IUPAC Name2-[4-[5-fluoro-3-(4-fluorophenyl)-2,3-dihydro-1H-inden-1-yl]piperazin-1-yl]ethanol;dihydrochloride
SMILESCl.Cl.OCCN1CCN(C2CC(c3ccc(F)cc3)c3cc(F)ccc32)CC1
InChIInChI=1S/C21H24F2N2O.2ClH/c22-16-3-1-15(2-4-16)19-14-21(18-6-5-17(23)13-20(18)19)25-9-7-24(8-10-25)11-12-26;;/h1-6,13,19,21,26H,7-12,14H2;2*1H
InChIKeyISURRERGIGKGPT-UHFFFAOYSA-N
XLogP3.99
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.35
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[5-fluoro-3-(4-fluorophenyl)-2,3-dihydro-1H-inden-1-yl]piperazin-1-yl]ethanol;dihydrochloride?
The IUPAC name of 2-[4-[5-fluoro-3-(4-fluorophenyl)-2,3-dihydro-1H-inden-1-yl]piperazin-1-yl]ethanol;dihydrochloride (CID 52942993) is 2-[4-[5-fluoro-3-(4-fluorophenyl)-2,3-dihydro-1H-inden-1-yl]piperazin-1-yl]ethanol;dihydrochloride.
What is the SMILES notation for 2-[4-[5-fluoro-3-(4-fluorophenyl)-2,3-dihydro-1H-inden-1-yl]piperazin-1-yl]ethanol;dihydrochloride?
The canonical SMILES for 2-[4-[5-fluoro-3-(4-fluorophenyl)-2,3-dihydro-1H-inden-1-yl]piperazin-1-yl]ethanol;dihydrochloride is Cl.Cl.OCCN1CCN(C2CC(c3ccc(F)cc3)c3cc(F)ccc32)CC1.
What is the InChIKey of 2-[4-[5-fluoro-3-(4-fluorophenyl)-2,3-dihydro-1H-inden-1-yl]piperazin-1-yl]ethanol;dihydrochloride?
The InChIKey is ISURRERGIGKGPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24F2N2O.2ClH/c22-16-3-1-15(2-4-16)19-14-21(18-6-5-17(23)13-20(18)19)25-9-7-24(8-10-25)11-12-26;;/h1-6,13,19,21,26H,7-12,14H2;2*1H.
What are the key properties of 2-[4-[5-fluoro-3-(4-fluorophenyl)-2,3-dihydro-1H-inden-1-yl]piperazin-1-yl]ethanol;dihydrochloride?
2-[4-[5-fluoro-3-(4-fluorophenyl)-2,3-dihydro-1H-inden-1-yl]piperazin-1-yl]ethanol;dihydrochloride has a molecular weight of 431.35 g/mol, XLogP of 3.99, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[5-fluoro-3-(4-fluorophenyl)-2,3-dihydro-1H-inden-1-yl]piperazin-1-yl]ethanol;dihydrochloride is sourced from PubChem (CID 52942993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).