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

C12H24N2O2 — CID 115608220

IUPACmethyl 2-(4-methylpiperazin-1-yl)hexanoate
SMILESCCCCC(C(=O)OC)N1CCN(C)CC1
InChIInChI=1S/C12H24N2O2/c1-4-5-6-11(12(15)16-3)14-9-7-13(2)8-10-14/h11H,4-10H2,1-3H3
InChIKeyNIHMIWVOPBHXER-UHFFFAOYSA-N
MW228.34 g/mol
LogP0.97
Rot. Bonds5

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

methyl 2-(4-methylpiperazin-1-yl)hexanoate (PubChem CID 115608220) has the molecular formula C12H24N2O2 and a molecular weight of 228.34 g/mol. Its IUPAC name is methyl 2-(4-methylpiperazin-1-yl)hexanoate.

Molecular Properties

Compound Namemethyl 2-(4-methylpiperazin-1-yl)hexanoate
PubChem CID115608220
Molecular FormulaC12H24N2O2
Molecular Weight228.34 g/mol
Exact Mass228.18
IUPAC Namemethyl 2-(4-methylpiperazin-1-yl)hexanoate
SMILESCCCCC(C(=O)OC)N1CCN(C)CC1
InChIInChI=1S/C12H24N2O2/c1-4-5-6-11(12(15)16-3)14-9-7-13(2)8-10-14/h11H,4-10H2,1-3H3
InChIKeyNIHMIWVOPBHXER-UHFFFAOYSA-N
XLogP0.97
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.34
LogP ≤ 50.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze methyl 2-(4-methylpiperazin-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-ethylpiperazin-1-yl)hexanoate
CID 115608216
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-(4-methylpiperazin-1-yl)pentanoate
CID 78964984
methyl 2-(3-propan-2-ylpyrrolidin-1-yl)hexanoate
CID 112698247
methyl 2-(4-methylazepan-1-yl)hexanoate
CID 112695834
methyl 2-(1,3-dihydroisoindol-2-yl)hexanoate
CID 113246431
ethyl 2-(aziridin-1-yl)octadecanoate
CID 21446509
methyl 2-(3,4-dihydro-1H-isoquinolin-2-yl)hexanoate
CID 112688849
methyl 2-[3-(diethylamino)pyrrolidin-1-yl]hexanoate
CID 113246249
methyl 2-[3-(trifluoromethyl)pyrrolidin-1-yl]hexanoate
CID 113341341
methyl 2-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)hexanoate
CID 115722973

Frequently Asked Questions

What is the IUPAC name of methyl 2-(4-methylpiperazin-1-yl)hexanoate?
The IUPAC name of methyl 2-(4-methylpiperazin-1-yl)hexanoate (CID 115608220) is methyl 2-(4-methylpiperazin-1-yl)hexanoate.
What is the SMILES notation for methyl 2-(4-methylpiperazin-1-yl)hexanoate?
The canonical SMILES for methyl 2-(4-methylpiperazin-1-yl)hexanoate is CCCCC(C(=O)OC)N1CCN(C)CC1.
What is the InChIKey of methyl 2-(4-methylpiperazin-1-yl)hexanoate?
The InChIKey is NIHMIWVOPBHXER-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O2/c1-4-5-6-11(12(15)16-3)14-9-7-13(2)8-10-14/h11H,4-10H2,1-3H3.
What are the key properties of methyl 2-(4-methylpiperazin-1-yl)hexanoate?
methyl 2-(4-methylpiperazin-1-yl)hexanoate has a molecular weight of 228.34 g/mol, XLogP of 0.97, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(4-methylpiperazin-1-yl)hexanoate is sourced from PubChem (CID 115608220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).