2-[[methyl-[2-(1-methylpiperidin-4-yl)ethyl]amino]methyl]butanoic acid

C14H28N2O2 — CID 115250133

IUPAC2-[[methyl-[2-(1-methylpiperidin-4-yl)ethyl]amino]methyl]butanoic acid
SMILESCCC(CN(C)CCC1CCN(C)CC1)C(=O)O
InChIInChI=1S/C14H28N2O2/c1-4-13(14(17)18)11-16(3)10-7-12-5-8-15(2)9-6-12/h12-13H,4-11H2,1-3H3,(H,17,18)
InChIKeyQHYGNIQLYBKJSE-UHFFFAOYSA-N
MW256.39 g/mol
LogP1.76
Rot. Bonds7

About 2-[[methyl-[2-(1-methylpiperidin-4-yl)ethyl]amino]methyl]butanoic acid

2-[[methyl-[2-(1-methylpiperidin-4-yl)ethyl]amino]methyl]butanoic acid (PubChem CID 115250133) has the molecular formula C14H28N2O2 and a molecular weight of 256.39 g/mol. Its IUPAC name is 2-[[methyl-[2-(1-methylpiperidin-4-yl)ethyl]amino]methyl]butanoic acid.

Molecular Properties

Compound Name2-[[methyl-[2-(1-methylpiperidin-4-yl)ethyl]amino]methyl]butanoic acid
PubChem CID115250133
Molecular FormulaC14H28N2O2
Molecular Weight256.39 g/mol
Exact Mass256.22
IUPAC Name2-[[methyl-[2-(1-methylpiperidin-4-yl)ethyl]amino]methyl]butanoic acid
SMILESCCC(CN(C)CCC1CCN(C)CC1)C(=O)O
InChIInChI=1S/C14H28N2O2/c1-4-13(14(17)18)11-16(3)10-7-12-5-8-15(2)9-6-12/h12-13H,4-11H2,1-3H3,(H,17,18)
InChIKeyQHYGNIQLYBKJSE-UHFFFAOYSA-N
XLogP1.76
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.39
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[[methyl-[2-(1-methylpiperidin-4-yl)ethyl]amino]methyl]butanoic 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

2-methyl-3-[methyl-[2-(1-methylpyrrolidin-3-yl)ethyl]amino]propanoic acid
CID 115219639
2-[[methyl-[(1-methylpiperidin-3-yl)methyl]amino]methyl]butanoic acid
CID 115250032
2-[[(1-methylpiperidin-4-yl)methylamino]methyl]butanoic acid
CID 115249968
N-methyl-N-[2-(1-methylpiperidin-4-yl)ethyl]butanamide
CID 165116548
3-amino-4-[methyl-[2-(1-methylpyrrolidin-3-yl)ethyl]amino]butanoic acid
CID 115241889
N',2-dimethyl-N'-[2-(1-methylpiperidin-4-yl)ethyl]propane-1,3-diamine
CID 115198906
2-[methyl-[2-[1-(1-methylpiperidin-4-yl)piperidin-4-yl]ethyl]amino]propanoic acid
CID 119149324
2-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]butanoic acid
CID 63236412
2,2-dimethyl-3-[methyl-[2-(1-methylpyrrolidin-3-yl)ethyl]amino]propanoic acid
CID 115136698
2-(methylamino)-3-[methyl-[2-(1-methylpiperidin-3-yl)ethyl]amino]propanoic acid
CID 115256304
1,3-dimethyl-1-[2-(1-methylpiperidin-4-yl)ethyl]urea
CID 115169549
2-amino-3-[2-cyclopentylethyl(methyl)amino]propanoic acid
CID 115240935

Frequently Asked Questions

What is the IUPAC name of 2-[[methyl-[2-(1-methylpiperidin-4-yl)ethyl]amino]methyl]butanoic acid?
The IUPAC name of 2-[[methyl-[2-(1-methylpiperidin-4-yl)ethyl]amino]methyl]butanoic acid (CID 115250133) is 2-[[methyl-[2-(1-methylpiperidin-4-yl)ethyl]amino]methyl]butanoic acid.
What is the SMILES notation for 2-[[methyl-[2-(1-methylpiperidin-4-yl)ethyl]amino]methyl]butanoic acid?
The canonical SMILES for 2-[[methyl-[2-(1-methylpiperidin-4-yl)ethyl]amino]methyl]butanoic acid is CCC(CN(C)CCC1CCN(C)CC1)C(=O)O.
What is the InChIKey of 2-[[methyl-[2-(1-methylpiperidin-4-yl)ethyl]amino]methyl]butanoic acid?
The InChIKey is QHYGNIQLYBKJSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O2/c1-4-13(14(17)18)11-16(3)10-7-12-5-8-15(2)9-6-12/h12-13H,4-11H2,1-3H3,(H,17,18).
What are the key properties of 2-[[methyl-[2-(1-methylpiperidin-4-yl)ethyl]amino]methyl]butanoic acid?
2-[[methyl-[2-(1-methylpiperidin-4-yl)ethyl]amino]methyl]butanoic acid has a molecular weight of 256.39 g/mol, XLogP of 1.76, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[methyl-[2-(1-methylpiperidin-4-yl)ethyl]amino]methyl]butanoic acid is sourced from PubChem (CID 115250133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).