1-[1-[[3-(trifluoromethyl)phenyl]methoxymethyl]-2,3-dihydroinden-1-yl]piperazine

C22H25F3N2O — CID 23147688

IUPAC1-[1-[[3-(trifluoromethyl)phenyl]methoxymethyl]-2,3-dihydroinden-1-yl]piperazine
SMILESFC(F)(F)c1cccc(COCC2(N3CCNCC3)CCc3ccccc32)c1
InChIInChI=1S/C22H25F3N2O/c23-22(24,25)19-6-3-4-17(14-19)15-28-16-21(27-12-10-26-11-13-27)9-8-18-5-1-2-7-20(18)21/h1-7,14,26H,8-13,15-16H2
InChIKeyKNWRZAHBHQKPGY-UHFFFAOYSA-N
MW390.45 g/mol
LogP3.97
Rot. Bonds5

About 1-[1-[[3-(trifluoromethyl)phenyl]methoxymethyl]-2,3-dihydroinden-1-yl]piperazine

1-[1-[[3-(trifluoromethyl)phenyl]methoxymethyl]-2,3-dihydroinden-1-yl]piperazine (PubChem CID 23147688) has the molecular formula C22H25F3N2O and a molecular weight of 390.45 g/mol. Its IUPAC name is 1-[1-[[3-(trifluoromethyl)phenyl]methoxymethyl]-2,3-dihydroinden-1-yl]piperazine.

Molecular Properties

Compound Name1-[1-[[3-(trifluoromethyl)phenyl]methoxymethyl]-2,3-dihydroinden-1-yl]piperazine
PubChem CID23147688
Molecular FormulaC22H25F3N2O
Molecular Weight390.45 g/mol
Exact Mass390.19
IUPAC Name1-[1-[[3-(trifluoromethyl)phenyl]methoxymethyl]-2,3-dihydroinden-1-yl]piperazine
SMILESFC(F)(F)c1cccc(COCC2(N3CCNCC3)CCc3ccccc32)c1
InChIInChI=1S/C22H25F3N2O/c23-22(24,25)19-6-3-4-17(14-19)15-28-16-21(27-12-10-26-11-13-27)9-8-18-5-1-2-7-20(18)21/h1-7,14,26H,8-13,15-16H2
InChIKeyKNWRZAHBHQKPGY-UHFFFAOYSA-N
XLogP3.97
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.45
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(S)-2-(((R)-1-(3,5-bis(trifluoromethyl)phenyl)ethoxy)methyl)-2-phenylpiperidine
CID 11712457
1-[2-[(3,5-Difluorophenyl)methoxy]-1-phenylethyl]piperazine
CID 44338530
2-({[3,5-Bis(trifluoromethyl)phenyl]methoxy}methyl)-2-phenylpiperidine
CID 44346206
1-[2-[[3,5-Bis(trifluoromethyl)phenyl]methoxy]-1-(2-methylphenyl)ethyl]piperazine
CID 44358516
1-[1-Phenyl-2-[3,5-bis(trifluoromethyl)benzyloxy]ethyl]piperazine
CID 22353151
1-[2-[[3,5-Bis(trifluoromethyl)phenyl]methoxy]-1-(4-fluorophenyl)ethyl]piperazine
CID 44338510
1-[2-[(3,5-Ditert-butylphenyl)methoxy]-1-phenylethyl]piperazine
CID 44338531
1-[2-[(3,5-Dimethylphenyl)methoxy]-1-phenylethyl]piperazine
CID 44338532
1-[2-[[3-Fluoro-5-(trifluoromethyl)phenyl]methoxy]-1-phenylethyl]piperazine
CID 44338546
1-[2-[[3,5-Bis(trifluoromethyl)phenyl]methoxy]-1-(2,3-difluorophenyl)ethyl]piperazine
CID 44338583
1-[2-[[3,5-Bis(trifluoromethyl)phenyl]methoxy]-1-(2-fluorophenyl)ethyl]piperazine
CID 44338618
1-[2-[[3,5-Bis(trifluoromethyl)phenyl]methoxy]-1-(3-propan-2-ylphenyl)ethyl]piperazine
CID 44338646

Frequently Asked Questions

What is the IUPAC name of 1-[1-[[3-(trifluoromethyl)phenyl]methoxymethyl]-2,3-dihydroinden-1-yl]piperazine?
The IUPAC name of 1-[1-[[3-(trifluoromethyl)phenyl]methoxymethyl]-2,3-dihydroinden-1-yl]piperazine (CID 23147688) is 1-[1-[[3-(trifluoromethyl)phenyl]methoxymethyl]-2,3-dihydroinden-1-yl]piperazine.
What is the SMILES notation for 1-[1-[[3-(trifluoromethyl)phenyl]methoxymethyl]-2,3-dihydroinden-1-yl]piperazine?
The canonical SMILES for 1-[1-[[3-(trifluoromethyl)phenyl]methoxymethyl]-2,3-dihydroinden-1-yl]piperazine is FC(F)(F)c1cccc(COCC2(N3CCNCC3)CCc3ccccc32)c1.
What is the InChIKey of 1-[1-[[3-(trifluoromethyl)phenyl]methoxymethyl]-2,3-dihydroinden-1-yl]piperazine?
The InChIKey is KNWRZAHBHQKPGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25F3N2O/c23-22(24,25)19-6-3-4-17(14-19)15-28-16-21(27-12-10-26-11-13-27)9-8-18-5-1-2-7-20(18)21/h1-7,14,26H,8-13,15-16H2.
What are the key properties of 1-[1-[[3-(trifluoromethyl)phenyl]methoxymethyl]-2,3-dihydroinden-1-yl]piperazine?
1-[1-[[3-(trifluoromethyl)phenyl]methoxymethyl]-2,3-dihydroinden-1-yl]piperazine has a molecular weight of 390.45 g/mol, XLogP of 3.97, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[[3-(trifluoromethyl)phenyl]methoxymethyl]-2,3-dihydroinden-1-yl]piperazine is sourced from PubChem (CID 23147688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).