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

C21H24ClFN2 — CID 10043978

IUPAC1-[6-chloro-3-(4-fluorophenyl)-2,3-dihydro-1H-inden-1-yl]-3,3-dimethylpiperazine
SMILESCC1(C)CN(C2CC(c3ccc(F)cc3)c3ccc(Cl)cc32)CCN1
InChIInChI=1S/C21H24ClFN2/c1-21(2)13-25(10-9-24-21)20-12-18(14-3-6-16(23)7-4-14)17-8-5-15(22)11-19(17)20/h3-8,11,18,20,24H,9-10,12-13H2,1-2H3
InChIKeyYBDPFVPDVAAUOC-UHFFFAOYSA-N
MW358.89 g/mol
LogP4.74
Rot. Bonds2

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

1-[6-chloro-3-(4-fluorophenyl)-2,3-dihydro-1H-inden-1-yl]-3,3-dimethylpiperazine (PubChem CID 10043978) has the molecular formula C21H24ClFN2 and a molecular weight of 358.89 g/mol. Its IUPAC name is 1-[6-chloro-3-(4-fluorophenyl)-2,3-dihydro-1H-inden-1-yl]-3,3-dimethylpiperazine.

Molecular Properties

Compound Name1-[6-chloro-3-(4-fluorophenyl)-2,3-dihydro-1H-inden-1-yl]-3,3-dimethylpiperazine
PubChem CID10043978
Molecular FormulaC21H24ClFN2
Molecular Weight358.89 g/mol
Exact Mass358.16
IUPAC Name1-[6-chloro-3-(4-fluorophenyl)-2,3-dihydro-1H-inden-1-yl]-3,3-dimethylpiperazine
SMILESCC1(C)CN(C2CC(c3ccc(F)cc3)c3ccc(Cl)cc32)CCN1
InChIInChI=1S/C21H24ClFN2/c1-21(2)13-25(10-9-24-21)20-12-18(14-3-6-16(23)7-4-14)17-8-5-15(22)11-19(17)20/h3-8,11,18,20,24H,9-10,12-13H2,1-2H3
InChIKeyYBDPFVPDVAAUOC-UHFFFAOYSA-N
XLogP4.74
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.89
LogP ≤ 54.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

Zicronapine
CID 11465618
Indatraline
CID 126280
Indatraline hydrochloride
CID 10314472
[3-(3,4-Dichloro-phenyl)-indan-1-yl]-methyl-amine
CID 3703
3-(3,4-Dichlorophenyl)-2,3-dihydro-N-methyl-1H-inden-1-amine hydrochloride
CID 3020938
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
[3-(4-Chloro-phenyl)-indan-1-yl]-methyl-amine
CID 13543806

Frequently Asked Questions

What is the IUPAC name of 1-[6-chloro-3-(4-fluorophenyl)-2,3-dihydro-1H-inden-1-yl]-3,3-dimethylpiperazine?
The IUPAC name of 1-[6-chloro-3-(4-fluorophenyl)-2,3-dihydro-1H-inden-1-yl]-3,3-dimethylpiperazine (CID 10043978) is 1-[6-chloro-3-(4-fluorophenyl)-2,3-dihydro-1H-inden-1-yl]-3,3-dimethylpiperazine.
What is the SMILES notation for 1-[6-chloro-3-(4-fluorophenyl)-2,3-dihydro-1H-inden-1-yl]-3,3-dimethylpiperazine?
The canonical SMILES for 1-[6-chloro-3-(4-fluorophenyl)-2,3-dihydro-1H-inden-1-yl]-3,3-dimethylpiperazine is CC1(C)CN(C2CC(c3ccc(F)cc3)c3ccc(Cl)cc32)CCN1.
What is the InChIKey of 1-[6-chloro-3-(4-fluorophenyl)-2,3-dihydro-1H-inden-1-yl]-3,3-dimethylpiperazine?
The InChIKey is YBDPFVPDVAAUOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24ClFN2/c1-21(2)13-25(10-9-24-21)20-12-18(14-3-6-16(23)7-4-14)17-8-5-15(22)11-19(17)20/h3-8,11,18,20,24H,9-10,12-13H2,1-2H3.
What are the key properties of 1-[6-chloro-3-(4-fluorophenyl)-2,3-dihydro-1H-inden-1-yl]-3,3-dimethylpiperazine?
1-[6-chloro-3-(4-fluorophenyl)-2,3-dihydro-1H-inden-1-yl]-3,3-dimethylpiperazine has a molecular weight of 358.89 g/mol, XLogP of 4.74, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-chloro-3-(4-fluorophenyl)-2,3-dihydro-1H-inden-1-yl]-3,3-dimethylpiperazine is sourced from PubChem (CID 10043978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).