1-[1-[[3,5-bis(trifluoromethyl)phenyl]methoxymethyl]-2,3-dihydroinden-1-yl]piperazine

C23H24F6N2O — CID 23147827

IUPAC1-[1-[[3,5-bis(trifluoromethyl)phenyl]methoxymethyl]-2,3-dihydroinden-1-yl]piperazine
SMILESFC(F)(F)c1cc(COCC2(N3CCNCC3)CCc3ccccc32)cc(C(F)(F)F)c1
InChIInChI=1S/C23H24F6N2O/c24-22(25,26)18-11-16(12-19(13-18)23(27,28)29)14-32-15-21(31-9-7-30-8-10-31)6-5-17-3-1-2-4-20(17)21/h1-4,11-13,30H,5-10,14-15H2
InChIKeyZKQMPXCNFHZCQN-UHFFFAOYSA-N
MW458.45 g/mol
LogP4.99
Rot. Bonds5

About 1-[1-[[3,5-bis(trifluoromethyl)phenyl]methoxymethyl]-2,3-dihydroinden-1-yl]piperazine

1-[1-[[3,5-bis(trifluoromethyl)phenyl]methoxymethyl]-2,3-dihydroinden-1-yl]piperazine (PubChem CID 23147827) has the molecular formula C23H24F6N2O and a molecular weight of 458.45 g/mol. Its IUPAC name is 1-[1-[[3,5-bis(trifluoromethyl)phenyl]methoxymethyl]-2,3-dihydroinden-1-yl]piperazine.

Molecular Properties

Compound Name1-[1-[[3,5-bis(trifluoromethyl)phenyl]methoxymethyl]-2,3-dihydroinden-1-yl]piperazine
PubChem CID23147827
Molecular FormulaC23H24F6N2O
Molecular Weight458.45 g/mol
Exact Mass458.18
IUPAC Name1-[1-[[3,5-bis(trifluoromethyl)phenyl]methoxymethyl]-2,3-dihydroinden-1-yl]piperazine
SMILESFC(F)(F)c1cc(COCC2(N3CCNCC3)CCc3ccccc32)cc(C(F)(F)F)c1
InChIInChI=1S/C23H24F6N2O/c24-22(25,26)18-11-16(12-19(13-18)23(27,28)29)14-32-15-21(31-9-7-30-8-10-31)6-5-17-3-1-2-4-20(17)21/h1-4,11-13,30H,5-10,14-15H2
InChIKeyZKQMPXCNFHZCQN-UHFFFAOYSA-N
XLogP4.99
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.45
LogP ≤ 54.99
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
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-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
1-[1-[3,4-Bis(ethenyl)phenyl]-2-[[3,5-bis(trifluoromethyl)phenyl]methoxy]ethyl]piperazine
CID 44358248
1-[1-[2,3-Bis(ethenyl)phenyl]-2-[[3,5-bis(trifluoromethyl)phenyl]methoxy]ethyl]piperazine
CID 44358249
1-[2-[[3,5-Bis(trifluoromethyl)phenyl]methoxy]-1-(3-methylphenyl)ethyl]piperazine
CID 44358280

Frequently Asked Questions

What is the IUPAC name of 1-[1-[[3,5-bis(trifluoromethyl)phenyl]methoxymethyl]-2,3-dihydroinden-1-yl]piperazine?
The IUPAC name of 1-[1-[[3,5-bis(trifluoromethyl)phenyl]methoxymethyl]-2,3-dihydroinden-1-yl]piperazine (CID 23147827) is 1-[1-[[3,5-bis(trifluoromethyl)phenyl]methoxymethyl]-2,3-dihydroinden-1-yl]piperazine.
What is the SMILES notation for 1-[1-[[3,5-bis(trifluoromethyl)phenyl]methoxymethyl]-2,3-dihydroinden-1-yl]piperazine?
The canonical SMILES for 1-[1-[[3,5-bis(trifluoromethyl)phenyl]methoxymethyl]-2,3-dihydroinden-1-yl]piperazine is FC(F)(F)c1cc(COCC2(N3CCNCC3)CCc3ccccc32)cc(C(F)(F)F)c1.
What is the InChIKey of 1-[1-[[3,5-bis(trifluoromethyl)phenyl]methoxymethyl]-2,3-dihydroinden-1-yl]piperazine?
The InChIKey is ZKQMPXCNFHZCQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24F6N2O/c24-22(25,26)18-11-16(12-19(13-18)23(27,28)29)14-32-15-21(31-9-7-30-8-10-31)6-5-17-3-1-2-4-20(17)21/h1-4,11-13,30H,5-10,14-15H2.
What are the key properties of 1-[1-[[3,5-bis(trifluoromethyl)phenyl]methoxymethyl]-2,3-dihydroinden-1-yl]piperazine?
1-[1-[[3,5-bis(trifluoromethyl)phenyl]methoxymethyl]-2,3-dihydroinden-1-yl]piperazine has a molecular weight of 458.45 g/mol, XLogP of 4.99, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[[3,5-bis(trifluoromethyl)phenyl]methoxymethyl]-2,3-dihydroinden-1-yl]piperazine is sourced from PubChem (CID 23147827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).