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

C21H24ClFN2O — CID 15653097

IUPAC2-[4-[5-chloro-3-(4-fluorophenyl)-2,3-dihydro-1H-inden-1-yl]piperazin-1-yl]ethanol
SMILESOCCN1CCN(C2CC(c3ccc(F)cc3)c3cc(Cl)ccc32)CC1
InChIInChI=1S/C21H24ClFN2O/c22-16-3-6-18-20(13-16)19(15-1-4-17(23)5-2-15)14-21(18)25-9-7-24(8-10-25)11-12-26/h1-6,13,19,21,26H,7-12,14H2
InChIKeyZTECBXOHIVSPQL-UHFFFAOYSA-N
MW374.89 g/mol
LogP3.67
Rot. Bonds4

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

2-[4-[5-chloro-3-(4-fluorophenyl)-2,3-dihydro-1H-inden-1-yl]piperazin-1-yl]ethanol (PubChem CID 15653097) has the molecular formula C21H24ClFN2O and a molecular weight of 374.89 g/mol. Its IUPAC name is 2-[4-[5-chloro-3-(4-fluorophenyl)-2,3-dihydro-1H-inden-1-yl]piperazin-1-yl]ethanol.

Molecular Properties

Compound Name2-[4-[5-chloro-3-(4-fluorophenyl)-2,3-dihydro-1H-inden-1-yl]piperazin-1-yl]ethanol
PubChem CID15653097
Molecular FormulaC21H24ClFN2O
Molecular Weight374.89 g/mol
Exact Mass374.16
IUPAC Name2-[4-[5-chloro-3-(4-fluorophenyl)-2,3-dihydro-1H-inden-1-yl]piperazin-1-yl]ethanol
SMILESOCCN1CCN(C2CC(c3ccc(F)cc3)c3cc(Cl)ccc32)CC1
InChIInChI=1S/C21H24ClFN2O/c22-16-3-6-18-20(13-16)19(15-1-4-17(23)5-2-15)14-21(18)25-9-7-24(8-10-25)11-12-26/h1-6,13,19,21,26H,7-12,14H2
InChIKeyZTECBXOHIVSPQL-UHFFFAOYSA-N
XLogP3.67
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.89
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[4-[5-chloro-3-(4-fluorophenyl)-2,3-dihydro-1H-inden-1-yl]piperazin-1-yl]ethanol 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-[5-chloro-3-(4-fluorophenyl)-2,3-dihydro-1H-inden-1-yl]piperazin-1-yl]ethanol?
The IUPAC name of 2-[4-[5-chloro-3-(4-fluorophenyl)-2,3-dihydro-1H-inden-1-yl]piperazin-1-yl]ethanol (CID 15653097) is 2-[4-[5-chloro-3-(4-fluorophenyl)-2,3-dihydro-1H-inden-1-yl]piperazin-1-yl]ethanol.
What is the SMILES notation for 2-[4-[5-chloro-3-(4-fluorophenyl)-2,3-dihydro-1H-inden-1-yl]piperazin-1-yl]ethanol?
The canonical SMILES for 2-[4-[5-chloro-3-(4-fluorophenyl)-2,3-dihydro-1H-inden-1-yl]piperazin-1-yl]ethanol is OCCN1CCN(C2CC(c3ccc(F)cc3)c3cc(Cl)ccc32)CC1.
What is the InChIKey of 2-[4-[5-chloro-3-(4-fluorophenyl)-2,3-dihydro-1H-inden-1-yl]piperazin-1-yl]ethanol?
The InChIKey is ZTECBXOHIVSPQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24ClFN2O/c22-16-3-6-18-20(13-16)19(15-1-4-17(23)5-2-15)14-21(18)25-9-7-24(8-10-25)11-12-26/h1-6,13,19,21,26H,7-12,14H2.
What are the key properties of 2-[4-[5-chloro-3-(4-fluorophenyl)-2,3-dihydro-1H-inden-1-yl]piperazin-1-yl]ethanol?
2-[4-[5-chloro-3-(4-fluorophenyl)-2,3-dihydro-1H-inden-1-yl]piperazin-1-yl]ethanol has a molecular weight of 374.89 g/mol, XLogP of 3.67, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[5-chloro-3-(4-fluorophenyl)-2,3-dihydro-1H-inden-1-yl]piperazin-1-yl]ethanol is sourced from PubChem (CID 15653097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).