1-(2,3-dihydro-1H-inden-2-ylmethyl)-4-(2-methoxyethyl)piperazine;2,2,2-trifluoroacetic acid

C19H27F3N2O3 — CID 154887046

IUPAC1-(2,3-dihydro-1H-inden-2-ylmethyl)-4-(2-methoxyethyl)piperazine;2,2,2-trifluoroacetic acid
SMILESCOCCN1CCN(CC2Cc3ccccc3C2)CC1.O=C(O)C(F)(F)F
InChIInChI=1S/C17H26N2O.C2HF3O2/c1-20-11-10-18-6-8-19(9-7-18)14-15-12-16-4-2-3-5-17(16)13-15;3-2(4,5)1(6)7/h2-5,15H,6-14H2,1H3;(H,6,7)
InChIKeyGNERIORZQDDZQJ-UHFFFAOYSA-N
MW388.43 g/mol
LogP2.30
Rot. Bonds5

About 1-(2,3-dihydro-1H-inden-2-ylmethyl)-4-(2-methoxyethyl)piperazine;2,2,2-trifluoroacetic acid

1-(2,3-dihydro-1H-inden-2-ylmethyl)-4-(2-methoxyethyl)piperazine;2,2,2-trifluoroacetic acid (PubChem CID 154887046) has the molecular formula C19H27F3N2O3 and a molecular weight of 388.43 g/mol. Its IUPAC name is 1-(2,3-dihydro-1H-inden-2-ylmethyl)-4-(2-methoxyethyl)piperazine;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name1-(2,3-dihydro-1H-inden-2-ylmethyl)-4-(2-methoxyethyl)piperazine;2,2,2-trifluoroacetic acid
PubChem CID154887046
Molecular FormulaC19H27F3N2O3
Molecular Weight388.43 g/mol
Exact Mass388.20
IUPAC Name1-(2,3-dihydro-1H-inden-2-ylmethyl)-4-(2-methoxyethyl)piperazine;2,2,2-trifluoroacetic acid
SMILESCOCCN1CCN(CC2Cc3ccccc3C2)CC1.O=C(O)C(F)(F)F
InChIInChI=1S/C17H26N2O.C2HF3O2/c1-20-11-10-18-6-8-19(9-7-18)14-15-12-16-4-2-3-5-17(16)13-15;3-2(4,5)1(6)7/h2-5,15H,6-14H2,1H3;(H,6,7)
InChIKeyGNERIORZQDDZQJ-UHFFFAOYSA-N
XLogP2.30
TPSA53.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.43
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-[2-[2-(Trifluoromethyl)phenyl]ethyl]piperidin-1-yl]acetic acid
CID 75371976
2-(5-Methylspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl)acetic acid;2,2,2-trifluoroacetic acid
CID 118743503
2-[4-[(9-Fluoro-4-tetracyclo[12.4.0.02,6.07,12]octadeca-1(18),7(12),8,10,14,16-hexaenyl)methyl]piperazin-1-yl]ethyl acetate
CID 59799481
2-[2-[Ethyl-[(9-fluoro-4-tetracyclo[12.4.0.02,6.07,12]octadeca-1(18),7(12),8,10,14,16-hexaenyl)methyl]amino]ethyl-methylamino]ethyl acetate
CID 71068613
N-[[1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]methyl]-2-methoxyethanamine;2,2,2-trifluoroacetic acid
CID 134364394
N-[[1-(2,3-dihydro-1H-inden-2-yl)piperidin-4-yl]methyl]-2-methoxyethanamine;2,2,2-trifluoroacetic acid
CID 134364405
2-[4-[[2-(Trifluoromethyl)phenyl]methyl]piperazin-1-yl]ethyl acetate
CID 141403247
2-[4-[4,4-Bis(4-fluorophenyl)butyl]piperazin-1-yl]ethyl acetate
CID 3052051
N-(2,3-dihydro-1H-inden-2-ylmethyl)-2,2-difluoro-N-(2-methoxyethyl)ethanamine
CID 132359953
1-[2-(2,3-dihydro-1H-inden-1-yl)ethyl]piperidin-3-ol;2,2,2-trifluoroacetic acid
CID 154884658
1-(2,3-dihydro-1H-inden-2-ylmethyl)-4-(1-pyrrolidin-1-ylethyl)piperidine;bis(2,2,2-trifluoroacetic acid)
CID 154885793
4-(5-Phenylpentyl)morpholine;2,2,2-trifluoroacetic acid
CID 154885866

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydro-1H-inden-2-ylmethyl)-4-(2-methoxyethyl)piperazine;2,2,2-trifluoroacetic acid?
The IUPAC name of 1-(2,3-dihydro-1H-inden-2-ylmethyl)-4-(2-methoxyethyl)piperazine;2,2,2-trifluoroacetic acid (CID 154887046) is 1-(2,3-dihydro-1H-inden-2-ylmethyl)-4-(2-methoxyethyl)piperazine;2,2,2-trifluoroacetic acid.
What is the SMILES notation for 1-(2,3-dihydro-1H-inden-2-ylmethyl)-4-(2-methoxyethyl)piperazine;2,2,2-trifluoroacetic acid?
The canonical SMILES for 1-(2,3-dihydro-1H-inden-2-ylmethyl)-4-(2-methoxyethyl)piperazine;2,2,2-trifluoroacetic acid is COCCN1CCN(CC2Cc3ccccc3C2)CC1.O=C(O)C(F)(F)F.
What is the InChIKey of 1-(2,3-dihydro-1H-inden-2-ylmethyl)-4-(2-methoxyethyl)piperazine;2,2,2-trifluoroacetic acid?
The InChIKey is GNERIORZQDDZQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O.C2HF3O2/c1-20-11-10-18-6-8-19(9-7-18)14-15-12-16-4-2-3-5-17(16)13-15;3-2(4,5)1(6)7/h2-5,15H,6-14H2,1H3;(H,6,7).
What are the key properties of 1-(2,3-dihydro-1H-inden-2-ylmethyl)-4-(2-methoxyethyl)piperazine;2,2,2-trifluoroacetic acid?
1-(2,3-dihydro-1H-inden-2-ylmethyl)-4-(2-methoxyethyl)piperazine;2,2,2-trifluoroacetic acid has a molecular weight of 388.43 g/mol, XLogP of 2.30, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dihydro-1H-inden-2-ylmethyl)-4-(2-methoxyethyl)piperazine;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 154887046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).