ethyl 4-(4-methylpiperazin-1-yl)butanoate

C11H22N2O2 — CID 914998

IUPACethyl 4-(4-methylpiperazin-1-yl)butanoate
SMILESCCOC(=O)CCCN1CCN(C)CC1
InChIInChI=1S/C11H22N2O2/c1-3-15-11(14)5-4-6-13-9-7-12(2)8-10-13/h3-10H2,1-2H3
InChIKeyOYLUXBIBVCAYHD-UHFFFAOYSA-N
MW214.31 g/mol
LogP0.58
Rot. Bonds5

About ethyl 4-(4-methylpiperazin-1-yl)butanoate

ethyl 4-(4-methylpiperazin-1-yl)butanoate (PubChem CID 914998) has the molecular formula C11H22N2O2 and a molecular weight of 214.31 g/mol. Its IUPAC name is ethyl 4-(4-methylpiperazin-1-yl)butanoate.

Molecular Properties

Compound Nameethyl 4-(4-methylpiperazin-1-yl)butanoate
PubChem CID914998
Molecular FormulaC11H22N2O2
Molecular Weight214.31 g/mol
Exact Mass214.17
IUPAC Nameethyl 4-(4-methylpiperazin-1-yl)butanoate
SMILESCCOC(=O)CCCN1CCN(C)CC1
InChIInChI=1S/C11H22N2O2/c1-3-15-11(14)5-4-6-13-9-7-12(2)8-10-13/h3-10H2,1-2H3
InChIKeyOYLUXBIBVCAYHD-UHFFFAOYSA-N
XLogP0.58
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.31
LogP ≤ 50.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 4-(4-methylpiperazin-1-yl)butanoate?
The IUPAC name of ethyl 4-(4-methylpiperazin-1-yl)butanoate (CID 914998) is ethyl 4-(4-methylpiperazin-1-yl)butanoate.
What is the SMILES notation for ethyl 4-(4-methylpiperazin-1-yl)butanoate?
The canonical SMILES for ethyl 4-(4-methylpiperazin-1-yl)butanoate is CCOC(=O)CCCN1CCN(C)CC1.
What is the InChIKey of ethyl 4-(4-methylpiperazin-1-yl)butanoate?
The InChIKey is OYLUXBIBVCAYHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O2/c1-3-15-11(14)5-4-6-13-9-7-12(2)8-10-13/h3-10H2,1-2H3.
What are the key properties of ethyl 4-(4-methylpiperazin-1-yl)butanoate?
ethyl 4-(4-methylpiperazin-1-yl)butanoate has a molecular weight of 214.31 g/mol, XLogP of 0.58, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-(4-methylpiperazin-1-yl)butanoate is sourced from PubChem (CID 914998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).