2-[1-[(4-methylpiperazin-1-yl)methyl]cyclopropyl]acetic acid

C11H20N2O2 — CID 65498651

IUPAC2-[1-[(4-methylpiperazin-1-yl)methyl]cyclopropyl]acetic acid
SMILESCN1CCN(CC2(CC(=O)O)CC2)CC1
InChIInChI=1S/C11H20N2O2/c1-12-4-6-13(7-5-12)9-11(2-3-11)8-10(14)15/h2-9H2,1H3,(H,14,15)
InChIKeyXTCIBRNIJOUTTB-UHFFFAOYSA-N
MW212.29 g/mol
LogP0.49
Rot. Bonds4

About 2-[1-[(4-methylpiperazin-1-yl)methyl]cyclopropyl]acetic acid

2-[1-[(4-methylpiperazin-1-yl)methyl]cyclopropyl]acetic acid (PubChem CID 65498651) has the molecular formula C11H20N2O2 and a molecular weight of 212.29 g/mol. Its IUPAC name is 2-[1-[(4-methylpiperazin-1-yl)methyl]cyclopropyl]acetic acid.

Molecular Properties

Compound Name2-[1-[(4-methylpiperazin-1-yl)methyl]cyclopropyl]acetic acid
PubChem CID65498651
Molecular FormulaC11H20N2O2
Molecular Weight212.29 g/mol
Exact Mass212.15
IUPAC Name2-[1-[(4-methylpiperazin-1-yl)methyl]cyclopropyl]acetic acid
SMILESCN1CCN(CC2(CC(=O)O)CC2)CC1
InChIInChI=1S/C11H20N2O2/c1-12-4-6-13(7-5-12)9-11(2-3-11)8-10(14)15/h2-9H2,1H3,(H,14,15)
InChIKeyXTCIBRNIJOUTTB-UHFFFAOYSA-N
XLogP0.49
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.29
LogP ≤ 50.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[1-[(4-methylpiperazin-1-yl)methyl]cyclopropyl]acetic acid 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

[1-[(4-methylpiperazin-1-yl)methyl]cyclopropyl]methanol
CID 82111602
2-[1-[(4-methoxypiperidin-1-yl)methyl]cyclopropyl]acetic acid
CID 65498439
2-[1-[[4-(diethylsulfamoyl)piperazin-1-yl]methyl]cyclopropyl]acetic acid
CID 138003681
2-[1-[(4-propan-2-ylazepan-1-yl)methyl]cyclopropyl]acetic acid
CID 65497815
2-[1-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]cyclopropyl]acetic acid
CID 65496738
2-[1-(morpholin-4-ylmethyl)cyclobutyl]acetic acid
CID 81167706
2-[1-[(4-tert-butylazepan-1-yl)methyl]cyclopropyl]acetic acid
CID 65498029
2-[1-[(3,4-dimethoxypyrrolidin-1-yl)methyl]cyclopropyl]acetic acid
CID 103540468
2-[1-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]cyclohexyl]acetic acid
CID 43235035
[1-[(4-methyl-1,4-diazepan-1-yl)methyl]cyclohexyl]methanol
CID 62270732
2-[1-[[2-(4-methylpiperazin-1-yl)-2-oxoethyl]sulfinylmethyl]cyclopropyl]acetic acid
CID 65443743
2-[1-[(3-methoxypiperidin-1-yl)methyl]cyclopropyl]acetic acid
CID 102968613

Frequently Asked Questions

What is the IUPAC name of 2-[1-[(4-methylpiperazin-1-yl)methyl]cyclopropyl]acetic acid?
The IUPAC name of 2-[1-[(4-methylpiperazin-1-yl)methyl]cyclopropyl]acetic acid (CID 65498651) is 2-[1-[(4-methylpiperazin-1-yl)methyl]cyclopropyl]acetic acid.
What is the SMILES notation for 2-[1-[(4-methylpiperazin-1-yl)methyl]cyclopropyl]acetic acid?
The canonical SMILES for 2-[1-[(4-methylpiperazin-1-yl)methyl]cyclopropyl]acetic acid is CN1CCN(CC2(CC(=O)O)CC2)CC1.
What is the InChIKey of 2-[1-[(4-methylpiperazin-1-yl)methyl]cyclopropyl]acetic acid?
The InChIKey is XTCIBRNIJOUTTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O2/c1-12-4-6-13(7-5-12)9-11(2-3-11)8-10(14)15/h2-9H2,1H3,(H,14,15).
What are the key properties of 2-[1-[(4-methylpiperazin-1-yl)methyl]cyclopropyl]acetic acid?
2-[1-[(4-methylpiperazin-1-yl)methyl]cyclopropyl]acetic acid has a molecular weight of 212.29 g/mol, XLogP of 0.49, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(4-methylpiperazin-1-yl)methyl]cyclopropyl]acetic acid is sourced from PubChem (CID 65498651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).