methyl 2-[(4-methylpiperazin-1-yl)methyl]pentanoate

C12H24N2O2 — CID 117242072

IUPACmethyl 2-[(4-methylpiperazin-1-yl)methyl]pentanoate
SMILESCCCC(CN1CCN(C)CC1)C(=O)OC
InChIInChI=1S/C12H24N2O2/c1-4-5-11(12(15)16-3)10-14-8-6-13(2)7-9-14/h11H,4-10H2,1-3H3
InChIKeyIMHGKNCAJZHZAO-UHFFFAOYSA-N
MW228.34 g/mol
LogP0.82
Rot. Bonds5

About methyl 2-[(4-methylpiperazin-1-yl)methyl]pentanoate

methyl 2-[(4-methylpiperazin-1-yl)methyl]pentanoate (PubChem CID 117242072) has the molecular formula C12H24N2O2 and a molecular weight of 228.34 g/mol. Its IUPAC name is methyl 2-[(4-methylpiperazin-1-yl)methyl]pentanoate.

Molecular Properties

Compound Namemethyl 2-[(4-methylpiperazin-1-yl)methyl]pentanoate
PubChem CID117242072
Molecular FormulaC12H24N2O2
Molecular Weight228.34 g/mol
Exact Mass228.18
IUPAC Namemethyl 2-[(4-methylpiperazin-1-yl)methyl]pentanoate
SMILESCCCC(CN1CCN(C)CC1)C(=O)OC
InChIInChI=1S/C12H24N2O2/c1-4-5-11(12(15)16-3)10-14-8-6-13(2)7-9-14/h11H,4-10H2,1-3H3
InChIKeyIMHGKNCAJZHZAO-UHFFFAOYSA-N
XLogP0.82
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 ≤ 50.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze methyl 2-[(4-methylpiperazin-1-yl)methyl]pentanoate 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

2-[(4-methylpiperazin-1-yl)methyl]hexanoic acid
CID 142749204
methyl (2S)-2-amino-4-(4-methylpiperazin-1-yl)butanoate
CID 94964874
methyl 2-(aminomethyl)pentanoate
CID 65220226
methyl 2-(morpholin-4-ylmethyl)butanoate
CID 117242059
methyl 2-amino-4-[2-(4-methylpiperazin-1-yl)ethylsulfanyl]butanoate
CID 82892086
methyl 2-(4-methylpiperazin-1-yl)hexanoate
CID 115608220
methyl 4-(4-methylpiperazin-1-yl)-2-(propan-2-ylamino)butanoate
CID 55144289
methyl 2-(1,1-dioxothian-4-yl)-3-(4-methylpiperazin-1-yl)propanoate
CID 117239630
methyl 2-methyl-3-[2-(4-methylpiperazin-1-yl)ethylsulfanyl]propanoate
CID 82889269
methyl 4,4-dimethyl-2-(piperidin-1-ylmethyl)pentanoate
CID 117242052
2-amino-3-(4-methylpiperazin-1-yl)propanoic acid
CID 10611336
methyl 2-propyltetradecanoate
CID 174361538

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(4-methylpiperazin-1-yl)methyl]pentanoate?
The IUPAC name of methyl 2-[(4-methylpiperazin-1-yl)methyl]pentanoate (CID 117242072) is methyl 2-[(4-methylpiperazin-1-yl)methyl]pentanoate.
What is the SMILES notation for methyl 2-[(4-methylpiperazin-1-yl)methyl]pentanoate?
The canonical SMILES for methyl 2-[(4-methylpiperazin-1-yl)methyl]pentanoate is CCCC(CN1CCN(C)CC1)C(=O)OC.
What is the InChIKey of methyl 2-[(4-methylpiperazin-1-yl)methyl]pentanoate?
The InChIKey is IMHGKNCAJZHZAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O2/c1-4-5-11(12(15)16-3)10-14-8-6-13(2)7-9-14/h11H,4-10H2,1-3H3.
What are the key properties of methyl 2-[(4-methylpiperazin-1-yl)methyl]pentanoate?
methyl 2-[(4-methylpiperazin-1-yl)methyl]pentanoate has a molecular weight of 228.34 g/mol, XLogP of 0.82, 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)methyl]pentanoate is sourced from PubChem (CID 117242072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).