1,4-bis(4-ethylpiperazin-1-yl)-2,2,3,3-tetrafluorobutane-1,4-dione

C16H26F4N4O2 — CID 4167516

IUPAC1,4-bis(4-ethylpiperazin-1-yl)-2,2,3,3-tetrafluorobutane-1,4-dione
SMILESCCN1CCN(C(=O)C(F)(F)C(F)(F)C(=O)N2CCN(CC)CC2)CC1
InChIInChI=1S/C16H26F4N4O2/c1-3-21-5-9-23(10-6-21)13(25)15(17,18)16(19,20)14(26)24-11-7-22(4-2)8-12-24/h3-12H2,1-2H3
InChIKeyIQTUVXDZHOMUAV-UHFFFAOYSA-N
MW382.40 g/mol
LogP0.59
Rot. Bonds5

About 1,4-bis(4-ethylpiperazin-1-yl)-2,2,3,3-tetrafluorobutane-1,4-dione

1,4-bis(4-ethylpiperazin-1-yl)-2,2,3,3-tetrafluorobutane-1,4-dione (PubChem CID 4167516) has the molecular formula C16H26F4N4O2 and a molecular weight of 382.40 g/mol. Its IUPAC name is 1,4-bis(4-ethylpiperazin-1-yl)-2,2,3,3-tetrafluorobutane-1,4-dione.

Molecular Properties

Compound Name1,4-bis(4-ethylpiperazin-1-yl)-2,2,3,3-tetrafluorobutane-1,4-dione
PubChem CID4167516
Molecular FormulaC16H26F4N4O2
Molecular Weight382.40 g/mol
Exact Mass382.20
IUPAC Name1,4-bis(4-ethylpiperazin-1-yl)-2,2,3,3-tetrafluorobutane-1,4-dione
SMILESCCN1CCN(C(=O)C(F)(F)C(F)(F)C(=O)N2CCN(CC)CC2)CC1
InChIInChI=1S/C16H26F4N4O2/c1-3-21-5-9-23(10-6-21)13(25)15(17,18)16(19,20)14(26)24-11-7-22(4-2)8-12-24/h3-12H2,1-2H3
InChIKeyIQTUVXDZHOMUAV-UHFFFAOYSA-N
XLogP0.59
TPSA47.10 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.40
LogP ≤ 50.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

9-chloro-1-(4-ethylpiperazin-1-yl)-2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9-hexadecafluorononan-1-one
CID 4120977
10-ethyl-1,4,7,10-tetrazacyclododecane-1,4,7-tricarboxylic acid
CID 177187641
1,3-bis(4-ethylpiperazin-1-yl)propane-1,3-dione
CID 108944495
2-amino-1-(4-ethylpiperazin-1-yl)-2-methylpentan-1-one;dihydrochloride
CID 119826659
2,2,3,3-tetrafluoro-1,4-di(piperidin-1-yl)butane-1,4-dione
CID 4999121
1-(4-ethylpiperazin-1-yl)-2-(4-fluorophenyl)-2-methylpropan-1-one
CID 113197344
3-(4-ethylpiperazin-1-yl)-2,2-dimethyl-3-oxo-N,N-dipropylpropanamide
CID 108960910
2,2,3,3,3-pentafluoro-1-(4-prop-2-ynylpiperazin-1-yl)propan-1-one
CID 114038095
1-(4-ethylpiperazin-1-yl)-2-methylpropan-1-one
CID 4069425
tert-butyl 4-ethylpiperazine-1-carboxylate
CID 21224793
1,4,7,10,13,16-hexaethyl-1,4,7,10,13,16-hexazacyclooctadecane
CID 66730221
(4-ethylpiperazin-1-yl)-[4-(trifluoromethyl)phenyl]methanone
CID 2422199

Frequently Asked Questions

What is the IUPAC name of 1,4-bis(4-ethylpiperazin-1-yl)-2,2,3,3-tetrafluorobutane-1,4-dione?
The IUPAC name of 1,4-bis(4-ethylpiperazin-1-yl)-2,2,3,3-tetrafluorobutane-1,4-dione (CID 4167516) is 1,4-bis(4-ethylpiperazin-1-yl)-2,2,3,3-tetrafluorobutane-1,4-dione.
What is the SMILES notation for 1,4-bis(4-ethylpiperazin-1-yl)-2,2,3,3-tetrafluorobutane-1,4-dione?
The canonical SMILES for 1,4-bis(4-ethylpiperazin-1-yl)-2,2,3,3-tetrafluorobutane-1,4-dione is CCN1CCN(C(=O)C(F)(F)C(F)(F)C(=O)N2CCN(CC)CC2)CC1.
What is the InChIKey of 1,4-bis(4-ethylpiperazin-1-yl)-2,2,3,3-tetrafluorobutane-1,4-dione?
The InChIKey is IQTUVXDZHOMUAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26F4N4O2/c1-3-21-5-9-23(10-6-21)13(25)15(17,18)16(19,20)14(26)24-11-7-22(4-2)8-12-24/h3-12H2,1-2H3.
What are the key properties of 1,4-bis(4-ethylpiperazin-1-yl)-2,2,3,3-tetrafluorobutane-1,4-dione?
1,4-bis(4-ethylpiperazin-1-yl)-2,2,3,3-tetrafluorobutane-1,4-dione has a molecular weight of 382.40 g/mol, XLogP of 0.59, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-bis(4-ethylpiperazin-1-yl)-2,2,3,3-tetrafluorobutane-1,4-dione is sourced from PubChem (CID 4167516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).