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

C21H24ClFN2 — CID 10666149

IUPAC4-[6-chloro-3-(4-fluorophenyl)-2,3-dihydro-1H-inden-1-yl]-1,2-dimethylpiperazine
SMILESCC1CN(C2CC(c3ccc(F)cc3)c3ccc(Cl)cc32)CCN1C
InChIInChI=1S/C21H24ClFN2/c1-14-13-25(10-9-24(14)2)21-12-19(15-3-6-17(23)7-4-15)18-8-5-16(22)11-20(18)21/h3-8,11,14,19,21H,9-10,12-13H2,1-2H3
InChIKeyNDIIKLHONTYYRL-UHFFFAOYSA-N
MW358.89 g/mol
LogP4.69
Rot. Bonds2

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

4-[6-chloro-3-(4-fluorophenyl)-2,3-dihydro-1H-inden-1-yl]-1,2-dimethylpiperazine (PubChem CID 10666149) has the molecular formula C21H24ClFN2 and a molecular weight of 358.89 g/mol. Its IUPAC name is 4-[6-chloro-3-(4-fluorophenyl)-2,3-dihydro-1H-inden-1-yl]-1,2-dimethylpiperazine.

Molecular Properties

Compound Name4-[6-chloro-3-(4-fluorophenyl)-2,3-dihydro-1H-inden-1-yl]-1,2-dimethylpiperazine
PubChem CID10666149
Molecular FormulaC21H24ClFN2
Molecular Weight358.89 g/mol
Exact Mass358.16
IUPAC Name4-[6-chloro-3-(4-fluorophenyl)-2,3-dihydro-1H-inden-1-yl]-1,2-dimethylpiperazine
SMILESCC1CN(C2CC(c3ccc(F)cc3)c3ccc(Cl)cc32)CCN1C
InChIInChI=1S/C21H24ClFN2/c1-14-13-25(10-9-24(14)2)21-12-19(15-3-6-17(23)7-4-15)18-8-5-16(22)11-20(18)21/h3-8,11,14,19,21H,9-10,12-13H2,1-2H3
InChIKeyNDIIKLHONTYYRL-UHFFFAOYSA-N
XLogP4.69
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.89
LogP ≤ 54.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[6-chloro-3-(4-fluorophenyl)-2,3-dihydro-1H-inden-1-yl]-1,2-dimethylpiperazine?
The IUPAC name of 4-[6-chloro-3-(4-fluorophenyl)-2,3-dihydro-1H-inden-1-yl]-1,2-dimethylpiperazine (CID 10666149) is 4-[6-chloro-3-(4-fluorophenyl)-2,3-dihydro-1H-inden-1-yl]-1,2-dimethylpiperazine.
What is the SMILES notation for 4-[6-chloro-3-(4-fluorophenyl)-2,3-dihydro-1H-inden-1-yl]-1,2-dimethylpiperazine?
The canonical SMILES for 4-[6-chloro-3-(4-fluorophenyl)-2,3-dihydro-1H-inden-1-yl]-1,2-dimethylpiperazine is CC1CN(C2CC(c3ccc(F)cc3)c3ccc(Cl)cc32)CCN1C.
What is the InChIKey of 4-[6-chloro-3-(4-fluorophenyl)-2,3-dihydro-1H-inden-1-yl]-1,2-dimethylpiperazine?
The InChIKey is NDIIKLHONTYYRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24ClFN2/c1-14-13-25(10-9-24(14)2)21-12-19(15-3-6-17(23)7-4-15)18-8-5-16(22)11-20(18)21/h3-8,11,14,19,21H,9-10,12-13H2,1-2H3.
What are the key properties of 4-[6-chloro-3-(4-fluorophenyl)-2,3-dihydro-1H-inden-1-yl]-1,2-dimethylpiperazine?
4-[6-chloro-3-(4-fluorophenyl)-2,3-dihydro-1H-inden-1-yl]-1,2-dimethylpiperazine has a molecular weight of 358.89 g/mol, XLogP of 4.69, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-chloro-3-(4-fluorophenyl)-2,3-dihydro-1H-inden-1-yl]-1,2-dimethylpiperazine is sourced from PubChem (CID 10666149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).