butane;1,4-dimethylpiperazine;1-(4-methylpiperazin-1-yl)ethanone;1,1,1-trifluoropropane

C20H43F3N4O — CID 145207737

IUPACbutane;1,4-dimethylpiperazine;1-(4-methylpiperazin-1-yl)ethanone;1,1,1-trifluoropropane
SMILESCC(=O)N1CCN(C)CC1.CCC(F)(F)F.CCCC.CN1CCN(C)CC1
InChIInChI=1S/C7H14N2O.C6H14N2.C4H10.C3H5F3/c1-7(10)9-5-3-8(2)4-6-9;1-7-3-5-8(2)6-4-7;1-3-4-2;1-2-3(4,5)6/h3-6H2,1-2H3;3-6H2,1-2H3;3-4H2,1-2H3;2H2,1H3
InChIKeyZWOWNSXLZKEMAI-UHFFFAOYSA-N
MW412.59 g/mol
LogP3.41
Rot. Bonds1

About butane;1,4-dimethylpiperazine;1-(4-methylpiperazin-1-yl)ethanone;1,1,1-trifluoropropane

butane;1,4-dimethylpiperazine;1-(4-methylpiperazin-1-yl)ethanone;1,1,1-trifluoropropane (PubChem CID 145207737) has the molecular formula C20H43F3N4O and a molecular weight of 412.59 g/mol. Its IUPAC name is butane;1,4-dimethylpiperazine;1-(4-methylpiperazin-1-yl)ethanone;1,1,1-trifluoropropane.

Molecular Properties

Compound Namebutane;1,4-dimethylpiperazine;1-(4-methylpiperazin-1-yl)ethanone;1,1,1-trifluoropropane
PubChem CID145207737
Molecular FormulaC20H43F3N4O
Molecular Weight412.59 g/mol
Exact Mass412.34
IUPAC Namebutane;1,4-dimethylpiperazine;1-(4-methylpiperazin-1-yl)ethanone;1,1,1-trifluoropropane
SMILESCC(=O)N1CCN(C)CC1.CCC(F)(F)F.CCCC.CN1CCN(C)CC1
InChIInChI=1S/C7H14N2O.C6H14N2.C4H10.C3H5F3/c1-7(10)9-5-3-8(2)4-6-9;1-7-3-5-8(2)6-4-7;1-3-4-2;1-2-3(4,5)6/h3-6H2,1-2H3;3-6H2,1-2H3;3-4H2,1-2H3;2H2,1H3
InChIKeyZWOWNSXLZKEMAI-UHFFFAOYSA-N
XLogP3.41
TPSA30.03 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.59
LogP ≤ 53.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze butane;1,4-dimethylpiperazine;1-(4-methylpiperazin-1-yl)ethanone;1,1,1-trifluoropropane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of butane;1,4-dimethylpiperazine;1-(4-methylpiperazin-1-yl)ethanone;1,1,1-trifluoropropane?
The IUPAC name of butane;1,4-dimethylpiperazine;1-(4-methylpiperazin-1-yl)ethanone;1,1,1-trifluoropropane (CID 145207737) is butane;1,4-dimethylpiperazine;1-(4-methylpiperazin-1-yl)ethanone;1,1,1-trifluoropropane.
What is the SMILES notation for butane;1,4-dimethylpiperazine;1-(4-methylpiperazin-1-yl)ethanone;1,1,1-trifluoropropane?
The canonical SMILES for butane;1,4-dimethylpiperazine;1-(4-methylpiperazin-1-yl)ethanone;1,1,1-trifluoropropane is CC(=O)N1CCN(C)CC1.CCC(F)(F)F.CCCC.CN1CCN(C)CC1.
What is the InChIKey of butane;1,4-dimethylpiperazine;1-(4-methylpiperazin-1-yl)ethanone;1,1,1-trifluoropropane?
The InChIKey is ZWOWNSXLZKEMAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N2O.C6H14N2.C4H10.C3H5F3/c1-7(10)9-5-3-8(2)4-6-9;1-7-3-5-8(2)6-4-7;1-3-4-2;1-2-3(4,5)6/h3-6H2,1-2H3;3-6H2,1-2H3;3-4H2,1-2H3;2H2,1H3.
What are the key properties of butane;1,4-dimethylpiperazine;1-(4-methylpiperazin-1-yl)ethanone;1,1,1-trifluoropropane?
butane;1,4-dimethylpiperazine;1-(4-methylpiperazin-1-yl)ethanone;1,1,1-trifluoropropane has a molecular weight of 412.59 g/mol, XLogP of 3.41, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for butane;1,4-dimethylpiperazine;1-(4-methylpiperazin-1-yl)ethanone;1,1,1-trifluoropropane is sourced from PubChem (CID 145207737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).