2-(2-piperazin-1-ylethoxy)ethyl acetate;2,2,2-trifluoroacetic acid

C12H21F3N2O5 — CID 70086364

IUPAC2-(2-piperazin-1-ylethoxy)ethyl acetate;2,2,2-trifluoroacetic acid
SMILESCC(=O)OCCOCCN1CCNCC1.O=C(O)C(F)(F)F
InChIInChI=1S/C10H20N2O3.C2HF3O2/c1-10(13)15-9-8-14-7-6-12-4-2-11-3-5-12;3-2(4,5)1(6)7/h11H,2-9H2,1H3;(H,6,7)
InChIKeyBFRVEOQHOXIHJN-UHFFFAOYSA-N
MW330.30 g/mol
LogP0.10
Rot. Bonds6

About 2-(2-piperazin-1-ylethoxy)ethyl acetate;2,2,2-trifluoroacetic acid

2-(2-piperazin-1-ylethoxy)ethyl acetate;2,2,2-trifluoroacetic acid (PubChem CID 70086364) has the molecular formula C12H21F3N2O5 and a molecular weight of 330.30 g/mol. Its IUPAC name is 2-(2-piperazin-1-ylethoxy)ethyl acetate;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name2-(2-piperazin-1-ylethoxy)ethyl acetate;2,2,2-trifluoroacetic acid
PubChem CID70086364
Molecular FormulaC12H21F3N2O5
Molecular Weight330.30 g/mol
Exact Mass330.14
IUPAC Name2-(2-piperazin-1-ylethoxy)ethyl acetate;2,2,2-trifluoroacetic acid
SMILESCC(=O)OCCOCCN1CCNCC1.O=C(O)C(F)(F)F
InChIInChI=1S/C10H20N2O3.C2HF3O2/c1-10(13)15-9-8-14-7-6-12-4-2-11-3-5-12;3-2(4,5)1(6)7/h11H,2-9H2,1H3;(H,6,7)
InChIKeyBFRVEOQHOXIHJN-UHFFFAOYSA-N
XLogP0.10
TPSA88.10 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.30
LogP ≤ 50.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

ethane;1-[2-(2-methoxyethoxy)ethyl]piperazine
CID 142390482
2-[2-(4-formylpiperazin-1-yl)ethoxy]ethyl acetate
CID 143019040
tert-butyl 2-[2-[2-(2-piperazin-1-ylethoxy)ethoxy]ethoxy]acetate
CID 90281059
3-piperazin-1-ylpropyl benzoate;2,2,2-trifluoroacetic acid
CID 175704265
2-(1,4-diazepan-1-yl)ethyl 2,2,2-trifluoroacetate
CID 91047530
2-[2-(2-methoxyethoxy)ethoxy]ethyl 2-piperazin-1-ylacetate
CID 104562881
1-(2-methylpropyl)piperazine;2,2,2-trifluoroacetic acid
CID 118367131
2-methyl-N-[2-[2-[2-(2-piperazin-1-ylethoxy)ethoxy]ethoxy]ethyl]propanamide
CID 168837908
2-piperazin-1-ylethyl carbonochloridate
CID 19711096
ethane;4-(2-piperazin-1-ylethoxy)butan-1-ol
CID 142367721
1-prop-2-ynylpiperazine;bis(2,2,2-trifluoroacetic acid)
CID 87238358
tert-butyl 2-[5-(2-piperazin-1-ylethoxy)pentoxy]acetate
CID 144664368

Frequently Asked Questions

What is the IUPAC name of 2-(2-piperazin-1-ylethoxy)ethyl acetate;2,2,2-trifluoroacetic acid?
The IUPAC name of 2-(2-piperazin-1-ylethoxy)ethyl acetate;2,2,2-trifluoroacetic acid (CID 70086364) is 2-(2-piperazin-1-ylethoxy)ethyl acetate;2,2,2-trifluoroacetic acid.
What is the SMILES notation for 2-(2-piperazin-1-ylethoxy)ethyl acetate;2,2,2-trifluoroacetic acid?
The canonical SMILES for 2-(2-piperazin-1-ylethoxy)ethyl acetate;2,2,2-trifluoroacetic acid is CC(=O)OCCOCCN1CCNCC1.O=C(O)C(F)(F)F.
What is the InChIKey of 2-(2-piperazin-1-ylethoxy)ethyl acetate;2,2,2-trifluoroacetic acid?
The InChIKey is BFRVEOQHOXIHJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O3.C2HF3O2/c1-10(13)15-9-8-14-7-6-12-4-2-11-3-5-12;3-2(4,5)1(6)7/h11H,2-9H2,1H3;(H,6,7).
What are the key properties of 2-(2-piperazin-1-ylethoxy)ethyl acetate;2,2,2-trifluoroacetic acid?
2-(2-piperazin-1-ylethoxy)ethyl acetate;2,2,2-trifluoroacetic acid has a molecular weight of 330.30 g/mol, XLogP of 0.10, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-piperazin-1-ylethoxy)ethyl acetate;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 70086364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).