ethyl 3-(methoxymethyl)-3-(4-methylpiperazin-1-yl)pentanoate

C14H28N2O3 — CID 65421649

IUPACethyl 3-(methoxymethyl)-3-(4-methylpiperazin-1-yl)pentanoate
SMILESCCOC(=O)CC(CC)(COC)N1CCN(C)CC1
InChIInChI=1S/C14H28N2O3/c1-5-14(12-18-4,11-13(17)19-6-2)16-9-7-15(3)8-10-16/h5-12H2,1-4H3
InChIKeyYAJXTAMEARWIPC-UHFFFAOYSA-N
MW272.39 g/mol
LogP0.98
Rot. Bonds7

About ethyl 3-(methoxymethyl)-3-(4-methylpiperazin-1-yl)pentanoate

ethyl 3-(methoxymethyl)-3-(4-methylpiperazin-1-yl)pentanoate (PubChem CID 65421649) has the molecular formula C14H28N2O3 and a molecular weight of 272.39 g/mol. Its IUPAC name is ethyl 3-(methoxymethyl)-3-(4-methylpiperazin-1-yl)pentanoate.

Molecular Properties

Compound Nameethyl 3-(methoxymethyl)-3-(4-methylpiperazin-1-yl)pentanoate
PubChem CID65421649
Molecular FormulaC14H28N2O3
Molecular Weight272.39 g/mol
Exact Mass272.21
IUPAC Nameethyl 3-(methoxymethyl)-3-(4-methylpiperazin-1-yl)pentanoate
SMILESCCOC(=O)CC(CC)(COC)N1CCN(C)CC1
InChIInChI=1S/C14H28N2O3/c1-5-14(12-18-4,11-13(17)19-6-2)16-9-7-15(3)8-10-16/h5-12H2,1-4H3
InChIKeyYAJXTAMEARWIPC-UHFFFAOYSA-N
XLogP0.98
TPSA42.01 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.39
LogP ≤ 50.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 3,6-dimethyl-3-(4-methylpiperazin-1-yl)heptanoate
CID 65421872
ethyl 3-(4-methylpiperazin-1-yl)-3-phenylbutanoate
CID 65422298
ethyl 5-methyl-3-(2-methylpropyl)-3-piperidin-1-ylhexanoate
CID 114866823
ethyl 3-methyl-3-pyrrolidin-1-ylpentanoate
CID 64529180
ethyl 4-methoxy-3-phenyl-3-pyrrolidin-1-ylbutanoate
CID 103466113
ethyl 3-methyl-3-morpholin-4-ylpentanoate
CID 64528777
3-methoxy-2-methyl-2-(4-methylpiperazin-1-yl)propan-1-amine
CID 62534542
ethyl 3-[4-(trifluoromethyl)piperazin-1-yl]propanoate
CID 174410956
ethyl 2-methyl-2-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]propanoate
CID 58135874
ethyl 2-(1-methoxy-2-methylpropan-2-yl)sulfonylacetate
CID 146442150
diethyl 1-methylpiperidine-4,4-dicarboxylate
CID 121001338
diethyl 2-methyl-2-[4-(4-methylpiperazin-1-yl)butyl]propanedioate
CID 10496536

Frequently Asked Questions

What is the IUPAC name of ethyl 3-(methoxymethyl)-3-(4-methylpiperazin-1-yl)pentanoate?
The IUPAC name of ethyl 3-(methoxymethyl)-3-(4-methylpiperazin-1-yl)pentanoate (CID 65421649) is ethyl 3-(methoxymethyl)-3-(4-methylpiperazin-1-yl)pentanoate.
What is the SMILES notation for ethyl 3-(methoxymethyl)-3-(4-methylpiperazin-1-yl)pentanoate?
The canonical SMILES for ethyl 3-(methoxymethyl)-3-(4-methylpiperazin-1-yl)pentanoate is CCOC(=O)CC(CC)(COC)N1CCN(C)CC1.
What is the InChIKey of ethyl 3-(methoxymethyl)-3-(4-methylpiperazin-1-yl)pentanoate?
The InChIKey is YAJXTAMEARWIPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O3/c1-5-14(12-18-4,11-13(17)19-6-2)16-9-7-15(3)8-10-16/h5-12H2,1-4H3.
What are the key properties of ethyl 3-(methoxymethyl)-3-(4-methylpiperazin-1-yl)pentanoate?
ethyl 3-(methoxymethyl)-3-(4-methylpiperazin-1-yl)pentanoate has a molecular weight of 272.39 g/mol, XLogP of 0.98, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-(methoxymethyl)-3-(4-methylpiperazin-1-yl)pentanoate is sourced from PubChem (CID 65421649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).