2-[4-[6-chloro-3-(4-fluorophenyl)-2,3-dihydro-1H-inden-1-yl]piperazin-1-yl]ethanol;dihydrochloride

C21H26Cl3FN2O — CID 10478808

IUPAC2-[4-[6-chloro-3-(4-fluorophenyl)-2,3-dihydro-1H-inden-1-yl]piperazin-1-yl]ethanol;dihydrochloride
SMILESCl.Cl.OCCN1CCN(C2CC(c3ccc(F)cc3)c3ccc(Cl)cc32)CC1
InChIInChI=1S/C21H24ClFN2O.2ClH/c22-16-3-6-18-19(15-1-4-17(23)5-2-15)14-21(20(18)13-16)25-9-7-24(8-10-25)11-12-26;;/h1-6,13,19,21,26H,7-12,14H2;2*1H
InChIKeyQJIYZGLXDMTTIW-UHFFFAOYSA-N
MW447.81 g/mol
LogP4.51
Rot. Bonds4

About 2-[4-[6-chloro-3-(4-fluorophenyl)-2,3-dihydro-1H-inden-1-yl]piperazin-1-yl]ethanol;dihydrochloride

2-[4-[6-chloro-3-(4-fluorophenyl)-2,3-dihydro-1H-inden-1-yl]piperazin-1-yl]ethanol;dihydrochloride (PubChem CID 10478808) has the molecular formula C21H26Cl3FN2O and a molecular weight of 447.81 g/mol. Its IUPAC name is 2-[4-[6-chloro-3-(4-fluorophenyl)-2,3-dihydro-1H-inden-1-yl]piperazin-1-yl]ethanol;dihydrochloride.

Molecular Properties

Compound Name2-[4-[6-chloro-3-(4-fluorophenyl)-2,3-dihydro-1H-inden-1-yl]piperazin-1-yl]ethanol;dihydrochloride
PubChem CID10478808
Molecular FormulaC21H26Cl3FN2O
Molecular Weight447.81 g/mol
Exact Mass446.11
IUPAC Name2-[4-[6-chloro-3-(4-fluorophenyl)-2,3-dihydro-1H-inden-1-yl]piperazin-1-yl]ethanol;dihydrochloride
SMILESCl.Cl.OCCN1CCN(C2CC(c3ccc(F)cc3)c3ccc(Cl)cc32)CC1
InChIInChI=1S/C21H24ClFN2O.2ClH/c22-16-3-6-18-19(15-1-4-17(23)5-2-15)14-21(20(18)13-16)25-9-7-24(8-10-25)11-12-26;;/h1-6,13,19,21,26H,7-12,14H2;2*1H
InChIKeyQJIYZGLXDMTTIW-UHFFFAOYSA-N
XLogP4.51
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.81
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[4-[6-chloro-3-(4-fluorophenyl)-2,3-dihydro-1H-inden-1-yl]piperazin-1-yl]ethanol;dihydrochloride with MolForge

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Related Compounds

Zicronapine
CID 11465618
4-((4-Chlorophenyl)phenylmethyl)-1-piperazineethanol
CID 3419898
2-{9-[6-Chloro-3-(4-fluoro-phenyl)-indan-1-yl]-6,9-diaza-spiro[4.5]dec-6-yl}-ethanol
CID 10574585
2-{4-[6-Chloro-3-(4-fluoro-phenyl)-indan-1-yl]-2,2-dimethyl-piperazin-1-yl}-ethanol
CID 10787324
4-[6-Chloro-3-(4-fluoro-phenyl)-indan-1-yl]-1,2,2-trimethyl-piperazine
CID 10809333
9-[6-Chloro-3-(4-fluoro-phenyl)-indan-1-yl]-6-methyl-6,9-diaza-spiro[4.5]decane
CID 10810927
8-[6-Chloro-3-(4-fluoro-phenyl)-indan-1-yl]-5-methyl-5,8-diaza-spiro[3.5]nonane
CID 11794473
4-[6-Chloro-3-(4-fluoro-phenyl)-indan-1-yl]-1-isopropyl-2,2-dimethyl-piperazine
CID 11795296
Zicronapine-D8
CID 71498955
2-{4-[6-Fluoro-3-(4-fluoro-phenyl)-indan-1-yl]-piperazin-1-yl}-ethanol
CID 10320519
4-[4-Chloro-3-(4-fluoro-phenyl)-indan-1-yl]-1,2,2-trimethyl-piperazine
CID 9864292
3-[4-[3-(3,4-dichlorophenyl)-2,3-dihydro-1H-inden-1-yl]piperazin-1-yl]propan-1-ol;dihydrochloride
CID 70693450

Frequently Asked Questions

What is the IUPAC name of 2-[4-[6-chloro-3-(4-fluorophenyl)-2,3-dihydro-1H-inden-1-yl]piperazin-1-yl]ethanol;dihydrochloride?
The IUPAC name of 2-[4-[6-chloro-3-(4-fluorophenyl)-2,3-dihydro-1H-inden-1-yl]piperazin-1-yl]ethanol;dihydrochloride (CID 10478808) is 2-[4-[6-chloro-3-(4-fluorophenyl)-2,3-dihydro-1H-inden-1-yl]piperazin-1-yl]ethanol;dihydrochloride.
What is the SMILES notation for 2-[4-[6-chloro-3-(4-fluorophenyl)-2,3-dihydro-1H-inden-1-yl]piperazin-1-yl]ethanol;dihydrochloride?
The canonical SMILES for 2-[4-[6-chloro-3-(4-fluorophenyl)-2,3-dihydro-1H-inden-1-yl]piperazin-1-yl]ethanol;dihydrochloride is Cl.Cl.OCCN1CCN(C2CC(c3ccc(F)cc3)c3ccc(Cl)cc32)CC1.
What is the InChIKey of 2-[4-[6-chloro-3-(4-fluorophenyl)-2,3-dihydro-1H-inden-1-yl]piperazin-1-yl]ethanol;dihydrochloride?
The InChIKey is QJIYZGLXDMTTIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24ClFN2O.2ClH/c22-16-3-6-18-19(15-1-4-17(23)5-2-15)14-21(20(18)13-16)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-[6-chloro-3-(4-fluorophenyl)-2,3-dihydro-1H-inden-1-yl]piperazin-1-yl]ethanol;dihydrochloride?
2-[4-[6-chloro-3-(4-fluorophenyl)-2,3-dihydro-1H-inden-1-yl]piperazin-1-yl]ethanol;dihydrochloride has a molecular weight of 447.81 g/mol, XLogP of 4.51, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[6-chloro-3-(4-fluorophenyl)-2,3-dihydro-1H-inden-1-yl]piperazin-1-yl]ethanol;dihydrochloride is sourced from PubChem (CID 10478808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).