ethane;2-(4-methylpiperazin-1-yl)ethyl butanoate

C13H28N2O2 — CID 171077163

IUPACethane;2-(4-methylpiperazin-1-yl)ethyl butanoate
SMILESCC.CCCC(=O)OCCN1CCN(C)CC1
InChIInChI=1S/C11H22N2O2.C2H6/c1-3-4-11(14)15-10-9-13-7-5-12(2)6-8-13;1-2/h3-10H2,1-2H3;1-2H3
InChIKeyFMVJBZDBAGSXQT-UHFFFAOYSA-N
MW244.38 g/mol
LogP1.60
Rot. Bonds5

About ethane;2-(4-methylpiperazin-1-yl)ethyl butanoate

ethane;2-(4-methylpiperazin-1-yl)ethyl butanoate (PubChem CID 171077163) has the molecular formula C13H28N2O2 and a molecular weight of 244.38 g/mol. Its IUPAC name is ethane;2-(4-methylpiperazin-1-yl)ethyl butanoate.

Molecular Properties

Compound Nameethane;2-(4-methylpiperazin-1-yl)ethyl butanoate
PubChem CID171077163
Molecular FormulaC13H28N2O2
Molecular Weight244.38 g/mol
Exact Mass244.22
IUPAC Nameethane;2-(4-methylpiperazin-1-yl)ethyl butanoate
SMILESCC.CCCC(=O)OCCN1CCN(C)CC1
InChIInChI=1S/C11H22N2O2.C2H6/c1-3-4-11(14)15-10-9-13-7-5-12(2)6-8-13;1-2/h3-10H2,1-2H3;1-2H3
InChIKeyFMVJBZDBAGSXQT-UHFFFAOYSA-N
XLogP1.60
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.38
LogP ≤ 51.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-Piperazineacetic acid, 4-methyl-, ethyl ester
CID 206939
Piperazinium, 1,4-bis(2-(acetyloxy)ethyl)-1,4-dimethyl-, dichloride
CID 218058
2-(4-Butanoylpiperazinyl)ethyl butanoate
CID 9881903
1,4-Piperazinediacetic acid, diethyl ester
CID 142460
2-Morpholin-4-ylethyl butanoate
CID 9859056
4-Morpholinobut-2-yn-1-yl propionate
CID 11976484
Ethyl 4-ethyl-1-piperazineacetate
CID 22199027
Methyl 4-morpholinobutanoate
CID 44858
2-Morpholin-4-ylethyl 3,3-dimethylbutanoate
CID 48192
Ethyl (4-propylpiperazin-1-yl)acetate
CID 6468647
2-(4-Morpholinyl)ethyl 2-methylpropanoate
CID 56692745
Ethyl 4-(4-Methyl-1-piperazinyl)butanoate
CID 914998

Frequently Asked Questions

What is the IUPAC name of ethane;2-(4-methylpiperazin-1-yl)ethyl butanoate?
The IUPAC name of ethane;2-(4-methylpiperazin-1-yl)ethyl butanoate (CID 171077163) is ethane;2-(4-methylpiperazin-1-yl)ethyl butanoate.
What is the SMILES notation for ethane;2-(4-methylpiperazin-1-yl)ethyl butanoate?
The canonical SMILES for ethane;2-(4-methylpiperazin-1-yl)ethyl butanoate is CC.CCCC(=O)OCCN1CCN(C)CC1.
What is the InChIKey of ethane;2-(4-methylpiperazin-1-yl)ethyl butanoate?
The InChIKey is FMVJBZDBAGSXQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O2.C2H6/c1-3-4-11(14)15-10-9-13-7-5-12(2)6-8-13;1-2/h3-10H2,1-2H3;1-2H3.
What are the key properties of ethane;2-(4-methylpiperazin-1-yl)ethyl butanoate?
ethane;2-(4-methylpiperazin-1-yl)ethyl butanoate has a molecular weight of 244.38 g/mol, XLogP of 1.60, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-(4-methylpiperazin-1-yl)ethyl butanoate is sourced from PubChem (CID 171077163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).