methyl 2-(3-ethyl-4-methylpiperazin-1-yl)hexanoate

C14H28N2O2 — CID 113373633

IUPACmethyl 2-(3-ethyl-4-methylpiperazin-1-yl)hexanoate
SMILESCCCCC(C(=O)OC)N1CCN(C)C(CC)C1
InChIInChI=1S/C14H28N2O2/c1-5-7-8-13(14(17)18-4)16-10-9-15(3)12(6-2)11-16/h12-13H,5-11H2,1-4H3
InChIKeyLRFSXQWTRVKYIV-UHFFFAOYSA-N
MW256.39 g/mol
LogP1.74
Rot. Bonds6

About methyl 2-(3-ethyl-4-methylpiperazin-1-yl)hexanoate

methyl 2-(3-ethyl-4-methylpiperazin-1-yl)hexanoate (PubChem CID 113373633) has the molecular formula C14H28N2O2 and a molecular weight of 256.39 g/mol. Its IUPAC name is methyl 2-(3-ethyl-4-methylpiperazin-1-yl)hexanoate.

Molecular Properties

Compound Namemethyl 2-(3-ethyl-4-methylpiperazin-1-yl)hexanoate
PubChem CID113373633
Molecular FormulaC14H28N2O2
Molecular Weight256.39 g/mol
Exact Mass256.22
IUPAC Namemethyl 2-(3-ethyl-4-methylpiperazin-1-yl)hexanoate
SMILESCCCCC(C(=O)OC)N1CCN(C)C(CC)C1
InChIInChI=1S/C14H28N2O2/c1-5-7-8-13(14(17)18-4)16-10-9-15(3)12(6-2)11-16/h12-13H,5-11H2,1-4H3
InChIKeyLRFSXQWTRVKYIV-UHFFFAOYSA-N
XLogP1.74
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.39
LogP ≤ 51.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-(4-methylpiperazin-1-yl)hexanoate
CID 115608220
methyl 2-(3-propan-2-ylpyrrolidin-1-yl)hexanoate
CID 112698247
methyl 2-(4-ethylpiperazin-1-yl)hexanoate
CID 115608216
methyl 2-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)hexanoate
CID 115722973
methyl 2-[3-(diethylamino)pyrrolidin-1-yl]hexanoate
CID 113246249
methyl 3-(3-ethyl-4-methylpiperazin-1-yl)butanoate
CID 63609412
methyl 2-[3-(trifluoromethyl)pyrrolidin-1-yl]hexanoate
CID 113341341
methyl 2-(3-piperidin-1-ylpyrrolidin-1-yl)hexanoate
CID 115618301
methyl 2-(3-oxo-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-7-yl)hexanoate
CID 112697491
methyl 2-(4-methylazepan-1-yl)hexanoate
CID 112695834
2-(3-ethyl-4-methylpiperazin-1-yl)propanoic acid
CID 63609756
tert-butyl 2-(3-ethyl-4-methylpiperazin-1-yl)propanoate
CID 66338891

Frequently Asked Questions

What is the IUPAC name of methyl 2-(3-ethyl-4-methylpiperazin-1-yl)hexanoate?
The IUPAC name of methyl 2-(3-ethyl-4-methylpiperazin-1-yl)hexanoate (CID 113373633) is methyl 2-(3-ethyl-4-methylpiperazin-1-yl)hexanoate.
What is the SMILES notation for methyl 2-(3-ethyl-4-methylpiperazin-1-yl)hexanoate?
The canonical SMILES for methyl 2-(3-ethyl-4-methylpiperazin-1-yl)hexanoate is CCCCC(C(=O)OC)N1CCN(C)C(CC)C1.
What is the InChIKey of methyl 2-(3-ethyl-4-methylpiperazin-1-yl)hexanoate?
The InChIKey is LRFSXQWTRVKYIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O2/c1-5-7-8-13(14(17)18-4)16-10-9-15(3)12(6-2)11-16/h12-13H,5-11H2,1-4H3.
What are the key properties of methyl 2-(3-ethyl-4-methylpiperazin-1-yl)hexanoate?
methyl 2-(3-ethyl-4-methylpiperazin-1-yl)hexanoate has a molecular weight of 256.39 g/mol, XLogP of 1.74, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(3-ethyl-4-methylpiperazin-1-yl)hexanoate is sourced from PubChem (CID 113373633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).