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

C23H28ClFN2O — CID 10787324

IUPAC2-[4-[6-chloro-3-(4-fluorophenyl)-2,3-dihydro-1H-inden-1-yl]-2,2-dimethylpiperazin-1-yl]ethanol
SMILESCC1(C)CN(C2CC(c3ccc(F)cc3)c3ccc(Cl)cc32)CCN1CCO
InChIInChI=1S/C23H28ClFN2O/c1-23(2)15-26(9-10-27(23)11-12-28)22-14-20(16-3-6-18(25)7-4-16)19-8-5-17(24)13-21(19)22/h3-8,13,20,22,28H,9-12,14-15H2,1-2H3
InChIKeyUNEFAEQTOYZREV-UHFFFAOYSA-N
MW402.94 g/mol
LogP4.44
Rot. Bonds4

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

2-[4-[6-chloro-3-(4-fluorophenyl)-2,3-dihydro-1H-inden-1-yl]-2,2-dimethylpiperazin-1-yl]ethanol (PubChem CID 10787324) has the molecular formula C23H28ClFN2O and a molecular weight of 402.94 g/mol. Its IUPAC name is 2-[4-[6-chloro-3-(4-fluorophenyl)-2,3-dihydro-1H-inden-1-yl]-2,2-dimethylpiperazin-1-yl]ethanol.

Molecular Properties

Compound Name2-[4-[6-chloro-3-(4-fluorophenyl)-2,3-dihydro-1H-inden-1-yl]-2,2-dimethylpiperazin-1-yl]ethanol
PubChem CID10787324
Molecular FormulaC23H28ClFN2O
Molecular Weight402.94 g/mol
Exact Mass402.19
IUPAC Name2-[4-[6-chloro-3-(4-fluorophenyl)-2,3-dihydro-1H-inden-1-yl]-2,2-dimethylpiperazin-1-yl]ethanol
SMILESCC1(C)CN(C2CC(c3ccc(F)cc3)c3ccc(Cl)cc32)CCN1CCO
InChIInChI=1S/C23H28ClFN2O/c1-23(2)15-26(9-10-27(23)11-12-28)22-14-20(16-3-6-18(25)7-4-16)19-8-5-17(24)13-21(19)22/h3-8,13,20,22,28H,9-12,14-15H2,1-2H3
InChIKeyUNEFAEQTOYZREV-UHFFFAOYSA-N
XLogP4.44
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.94
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[6-chloro-3-(4-fluorophenyl)-2,3-dihydro-1H-inden-1-yl]-2,2-dimethylpiperazin-1-yl]ethanol?
The IUPAC name of 2-[4-[6-chloro-3-(4-fluorophenyl)-2,3-dihydro-1H-inden-1-yl]-2,2-dimethylpiperazin-1-yl]ethanol (CID 10787324) is 2-[4-[6-chloro-3-(4-fluorophenyl)-2,3-dihydro-1H-inden-1-yl]-2,2-dimethylpiperazin-1-yl]ethanol.
What is the SMILES notation for 2-[4-[6-chloro-3-(4-fluorophenyl)-2,3-dihydro-1H-inden-1-yl]-2,2-dimethylpiperazin-1-yl]ethanol?
The canonical SMILES for 2-[4-[6-chloro-3-(4-fluorophenyl)-2,3-dihydro-1H-inden-1-yl]-2,2-dimethylpiperazin-1-yl]ethanol is CC1(C)CN(C2CC(c3ccc(F)cc3)c3ccc(Cl)cc32)CCN1CCO.
What is the InChIKey of 2-[4-[6-chloro-3-(4-fluorophenyl)-2,3-dihydro-1H-inden-1-yl]-2,2-dimethylpiperazin-1-yl]ethanol?
The InChIKey is UNEFAEQTOYZREV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28ClFN2O/c1-23(2)15-26(9-10-27(23)11-12-28)22-14-20(16-3-6-18(25)7-4-16)19-8-5-17(24)13-21(19)22/h3-8,13,20,22,28H,9-12,14-15H2,1-2H3.
What are the key properties of 2-[4-[6-chloro-3-(4-fluorophenyl)-2,3-dihydro-1H-inden-1-yl]-2,2-dimethylpiperazin-1-yl]ethanol?
2-[4-[6-chloro-3-(4-fluorophenyl)-2,3-dihydro-1H-inden-1-yl]-2,2-dimethylpiperazin-1-yl]ethanol has a molecular weight of 402.94 g/mol, XLogP of 4.44, 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]-2,2-dimethylpiperazin-1-yl]ethanol is sourced from PubChem (CID 10787324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).