2,2-diethyl-5-methyl-1-(2,2,3,3-tetrafluoropropyl)piperazine

C12H22F4N2 — CID 112741495

IUPAC2,2-diethyl-5-methyl-1-(2,2,3,3-tetrafluoropropyl)piperazine
SMILESCCC1(CC)CNC(C)CN1CC(F)(F)C(F)F
InChIInChI=1S/C12H22F4N2/c1-4-11(5-2)7-17-9(3)6-18(11)8-12(15,16)10(13)14/h9-10,17H,4-8H2,1-3H3
InChIKeyWOSCMARBZWHZSF-UHFFFAOYSA-N
MW270.31 g/mol
LogP2.74
Rot. Bonds5

About 2,2-diethyl-5-methyl-1-(2,2,3,3-tetrafluoropropyl)piperazine

2,2-diethyl-5-methyl-1-(2,2,3,3-tetrafluoropropyl)piperazine (PubChem CID 112741495) has the molecular formula C12H22F4N2 and a molecular weight of 270.31 g/mol. Its IUPAC name is 2,2-diethyl-5-methyl-1-(2,2,3,3-tetrafluoropropyl)piperazine.

Molecular Properties

Compound Name2,2-diethyl-5-methyl-1-(2,2,3,3-tetrafluoropropyl)piperazine
PubChem CID112741495
Molecular FormulaC12H22F4N2
Molecular Weight270.31 g/mol
Exact Mass270.17
IUPAC Name2,2-diethyl-5-methyl-1-(2,2,3,3-tetrafluoropropyl)piperazine
SMILESCCC1(CC)CNC(C)CN1CC(F)(F)C(F)F
InChIInChI=1S/C12H22F4N2/c1-4-11(5-2)7-17-9(3)6-18(11)8-12(15,16)10(13)14/h9-10,17H,4-8H2,1-3H3
InChIKeyWOSCMARBZWHZSF-UHFFFAOYSA-N
XLogP2.74
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.31
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2,2-diethyl-5-(2-methylpropyl)-1-(2,2,2-trifluoroethyl)piperazine
CID 64847994
3-methyl-1-(2,2,3,3-tetrafluoropropyl)piperazine
CID 103815505
2,2-diethyl-5-methyl-1-(oxan-4-ylmethyl)piperazine
CID 64846119
2,2-diethyl-1-(3-ethylsulfonylpropyl)-5-methylpiperazine
CID 65096895
1-(3-chloro-2-methylprop-2-enyl)-2,2-diethyl-5-methylpiperazine
CID 106440342
1-[(3-chloro-2-fluorophenyl)methyl]-2,2-diethyl-5-methylpiperazine
CID 102862439
1-(2,2-difluoroethyl)-2,2-diethyl-5-propan-2-ylpiperazine
CID 64839847
2,2-diethyl-5-methyl-1-(thiophen-2-ylmethyl)piperazine
CID 64845724
4,6-dimethyl-1-(2,2,3,3-tetrafluoropropyl)-1,5-diazocane
CID 106294820
3-ethyl-3,6-dimethyl-1-(2,2,3,3-tetrafluoropropyl)piperazine-2,5-dione
CID 106290614
3-bromo-2,2-dimethyl-1-(2,2,3,3-tetrafluoropropyl)pyrrolidine
CID 130673738
2,2-diethyl-1-(3-fluoropropyl)-5-propan-2-ylpiperazine
CID 81113954

Frequently Asked Questions

What is the IUPAC name of 2,2-diethyl-5-methyl-1-(2,2,3,3-tetrafluoropropyl)piperazine?
The IUPAC name of 2,2-diethyl-5-methyl-1-(2,2,3,3-tetrafluoropropyl)piperazine (CID 112741495) is 2,2-diethyl-5-methyl-1-(2,2,3,3-tetrafluoropropyl)piperazine.
What is the SMILES notation for 2,2-diethyl-5-methyl-1-(2,2,3,3-tetrafluoropropyl)piperazine?
The canonical SMILES for 2,2-diethyl-5-methyl-1-(2,2,3,3-tetrafluoropropyl)piperazine is CCC1(CC)CNC(C)CN1CC(F)(F)C(F)F.
What is the InChIKey of 2,2-diethyl-5-methyl-1-(2,2,3,3-tetrafluoropropyl)piperazine?
The InChIKey is WOSCMARBZWHZSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22F4N2/c1-4-11(5-2)7-17-9(3)6-18(11)8-12(15,16)10(13)14/h9-10,17H,4-8H2,1-3H3.
What are the key properties of 2,2-diethyl-5-methyl-1-(2,2,3,3-tetrafluoropropyl)piperazine?
2,2-diethyl-5-methyl-1-(2,2,3,3-tetrafluoropropyl)piperazine has a molecular weight of 270.31 g/mol, XLogP of 2.74, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-diethyl-5-methyl-1-(2,2,3,3-tetrafluoropropyl)piperazine is sourced from PubChem (CID 112741495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).