1-[2-(2,2-difluoroethoxy)ethyl]-5-ethyl-2,5-dimethylpiperazine

C12H24F2N2O — CID 114127962

IUPAC1-[2-(2,2-difluoroethoxy)ethyl]-5-ethyl-2,5-dimethylpiperazine
SMILESCCC1(C)CN(CCOCC(F)F)C(C)CN1
InChIInChI=1S/C12H24F2N2O/c1-4-12(3)9-16(10(2)7-15-12)5-6-17-8-11(13)14/h10-11,15H,4-9H2,1-3H3
InChIKeyKSNGOHZMJGOBLD-UHFFFAOYSA-N
MW250.33 g/mol
LogP1.73
Rot. Bonds6

About 1-[2-(2,2-difluoroethoxy)ethyl]-5-ethyl-2,5-dimethylpiperazine

1-[2-(2,2-difluoroethoxy)ethyl]-5-ethyl-2,5-dimethylpiperazine (PubChem CID 114127962) has the molecular formula C12H24F2N2O and a molecular weight of 250.33 g/mol. Its IUPAC name is 1-[2-(2,2-difluoroethoxy)ethyl]-5-ethyl-2,5-dimethylpiperazine.

Molecular Properties

Compound Name1-[2-(2,2-difluoroethoxy)ethyl]-5-ethyl-2,5-dimethylpiperazine
PubChem CID114127962
Molecular FormulaC12H24F2N2O
Molecular Weight250.33 g/mol
Exact Mass250.19
IUPAC Name1-[2-(2,2-difluoroethoxy)ethyl]-5-ethyl-2,5-dimethylpiperazine
SMILESCCC1(C)CN(CCOCC(F)F)C(C)CN1
InChIInChI=1S/C12H24F2N2O/c1-4-12(3)9-16(10(2)7-15-12)5-6-17-8-11(13)14/h10-11,15H,4-9H2,1-3H3
InChIKeyKSNGOHZMJGOBLD-UHFFFAOYSA-N
XLogP1.73
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.33
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-ethyl-2,5-dimethyl-1-(2-propan-2-yloxyethyl)piperazine
CID 64847117
5-ethyl-2,5-dimethyl-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazine
CID 112592085
1-butyl-5-ethyl-2,5-dimethylpiperazine
CID 64849431
3-ethyl-3,7-dimethyl-1-(2-propoxyethyl)-1,4-diazepane
CID 106458890
5-ethyl-1-(3-methoxy-3-methylbutyl)-2,5-dimethylpiperazine
CID 103016503
2-tert-butyl-1-(2-ethoxyethyl)-5-ethyl-5-methylpiperazine
CID 64848895
1-(2-butoxyethyl)-2,5,5-trimethylpiperazine
CID 64840639
2,5-diethyl-1-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-5-methylpiperazine
CID 104567913
2-tert-butyl-5-ethyl-5-methyl-1-(2-propoxyethyl)piperazine
CID 106458706
1-(2,2-dimethylbutyl)-5-ethyl-2,5-dimethylpiperazine
CID 103465293
2,5,5-trimethyl-1-[2-(3-methylbutoxy)ethyl]piperazine
CID 64839085
2,5,5-trimethyl-1-[2-(2,2,2-trifluoroethoxy)ethyl]piperazine
CID 64840444

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2,2-difluoroethoxy)ethyl]-5-ethyl-2,5-dimethylpiperazine?
The IUPAC name of 1-[2-(2,2-difluoroethoxy)ethyl]-5-ethyl-2,5-dimethylpiperazine (CID 114127962) is 1-[2-(2,2-difluoroethoxy)ethyl]-5-ethyl-2,5-dimethylpiperazine.
What is the SMILES notation for 1-[2-(2,2-difluoroethoxy)ethyl]-5-ethyl-2,5-dimethylpiperazine?
The canonical SMILES for 1-[2-(2,2-difluoroethoxy)ethyl]-5-ethyl-2,5-dimethylpiperazine is CCC1(C)CN(CCOCC(F)F)C(C)CN1.
What is the InChIKey of 1-[2-(2,2-difluoroethoxy)ethyl]-5-ethyl-2,5-dimethylpiperazine?
The InChIKey is KSNGOHZMJGOBLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24F2N2O/c1-4-12(3)9-16(10(2)7-15-12)5-6-17-8-11(13)14/h10-11,15H,4-9H2,1-3H3.
What are the key properties of 1-[2-(2,2-difluoroethoxy)ethyl]-5-ethyl-2,5-dimethylpiperazine?
1-[2-(2,2-difluoroethoxy)ethyl]-5-ethyl-2,5-dimethylpiperazine has a molecular weight of 250.33 g/mol, XLogP of 1.73, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2,2-difluoroethoxy)ethyl]-5-ethyl-2,5-dimethylpiperazine is sourced from PubChem (CID 114127962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).