methyl 2-(4-ethylpiperazin-1-yl)hexanoate

C13H26N2O2 — CID 115608216

IUPACmethyl 2-(4-ethylpiperazin-1-yl)hexanoate
SMILESCCCCC(C(=O)OC)N1CCN(CC)CC1
InChIInChI=1S/C13H26N2O2/c1-4-6-7-12(13(16)17-3)15-10-8-14(5-2)9-11-15/h12H,4-11H2,1-3H3
InChIKeyUZDKLVSUMJJYBD-UHFFFAOYSA-N
MW242.36 g/mol
LogP1.36
Rot. Bonds6

About methyl 2-(4-ethylpiperazin-1-yl)hexanoate

methyl 2-(4-ethylpiperazin-1-yl)hexanoate (PubChem CID 115608216) has the molecular formula C13H26N2O2 and a molecular weight of 242.36 g/mol. Its IUPAC name is methyl 2-(4-ethylpiperazin-1-yl)hexanoate.

Molecular Properties

Compound Namemethyl 2-(4-ethylpiperazin-1-yl)hexanoate
PubChem CID115608216
Molecular FormulaC13H26N2O2
Molecular Weight242.36 g/mol
Exact Mass242.20
IUPAC Namemethyl 2-(4-ethylpiperazin-1-yl)hexanoate
SMILESCCCCC(C(=O)OC)N1CCN(CC)CC1
InChIInChI=1S/C13H26N2O2/c1-4-6-7-12(13(16)17-3)15-10-8-14(5-2)9-11-15/h12H,4-11H2,1-3H3
InChIKeyUZDKLVSUMJJYBD-UHFFFAOYSA-N
XLogP1.36
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.36
LogP ≤ 51.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze methyl 2-(4-ethylpiperazin-1-yl)hexanoate with MolForge

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

Launch Full Analysis

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-methylazepan-1-yl)hexanoate
CID 112695834
methyl 2-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)hexanoate
CID 115666836
methyl 2-(3-ethyl-4-methylpiperazin-1-yl)hexanoate
CID 113373633
ethyl 2-(aziridin-1-yl)octadecanoate
CID 21446509
methyl 2-[3-(diethylamino)pyrrolidin-1-yl]hexanoate
CID 113246249
methyl 2-(1,3-dihydroisoindol-2-yl)hexanoate
CID 113246431
methyl 2-[3-(trifluoromethyl)pyrrolidin-1-yl]hexanoate
CID 113341341
1-ethyl-4-(1-methoxypentyl)piperazine
CID 70474483
methyl 2-(3-oxo-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-7-yl)hexanoate
CID 112697491
methyl 2-(3-piperidin-1-ylpyrrolidin-1-yl)hexanoate
CID 115618301

Frequently Asked Questions

What is the IUPAC name of methyl 2-(4-ethylpiperazin-1-yl)hexanoate?
The IUPAC name of methyl 2-(4-ethylpiperazin-1-yl)hexanoate (CID 115608216) is methyl 2-(4-ethylpiperazin-1-yl)hexanoate.
What is the SMILES notation for methyl 2-(4-ethylpiperazin-1-yl)hexanoate?
The canonical SMILES for methyl 2-(4-ethylpiperazin-1-yl)hexanoate is CCCCC(C(=O)OC)N1CCN(CC)CC1.
What is the InChIKey of methyl 2-(4-ethylpiperazin-1-yl)hexanoate?
The InChIKey is UZDKLVSUMJJYBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O2/c1-4-6-7-12(13(16)17-3)15-10-8-14(5-2)9-11-15/h12H,4-11H2,1-3H3.
What are the key properties of methyl 2-(4-ethylpiperazin-1-yl)hexanoate?
methyl 2-(4-ethylpiperazin-1-yl)hexanoate has a molecular weight of 242.36 g/mol, XLogP of 1.36, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(4-ethylpiperazin-1-yl)hexanoate is sourced from PubChem (CID 115608216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).