2-[[methyl-(1-methylpiperidin-3-yl)amino]methyl]cyclopropane-1-carboxylic acid

C12H22N2O2 — CID 115221459

IUPAC2-[[methyl-(1-methylpiperidin-3-yl)amino]methyl]cyclopropane-1-carboxylic acid
SMILESCN1CCCC(N(C)CC2CC2C(=O)O)C1
InChIInChI=1S/C12H22N2O2/c1-13-5-3-4-10(8-13)14(2)7-9-6-11(9)12(15)16/h9-11H,3-8H2,1-2H3,(H,15,16)
InChIKeyXQIDDDJDBFGJDC-UHFFFAOYSA-N
MW226.32 g/mol
LogP0.73
Rot. Bonds4

About 2-[[methyl-(1-methylpiperidin-3-yl)amino]methyl]cyclopropane-1-carboxylic acid

2-[[methyl-(1-methylpiperidin-3-yl)amino]methyl]cyclopropane-1-carboxylic acid (PubChem CID 115221459) has the molecular formula C12H22N2O2 and a molecular weight of 226.32 g/mol. Its IUPAC name is 2-[[methyl-(1-methylpiperidin-3-yl)amino]methyl]cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name2-[[methyl-(1-methylpiperidin-3-yl)amino]methyl]cyclopropane-1-carboxylic acid
PubChem CID115221459
Molecular FormulaC12H22N2O2
Molecular Weight226.32 g/mol
Exact Mass226.17
IUPAC Name2-[[methyl-(1-methylpiperidin-3-yl)amino]methyl]cyclopropane-1-carboxylic acid
SMILESCN1CCCC(N(C)CC2CC2C(=O)O)C1
InChIInChI=1S/C12H22N2O2/c1-13-5-3-4-10(8-13)14(2)7-9-6-11(9)12(15)16/h9-11H,3-8H2,1-2H3,(H,15,16)
InChIKeyXQIDDDJDBFGJDC-UHFFFAOYSA-N
XLogP0.73
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.32
LogP ≤ 50.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[[methyl-(1-methylpiperidin-3-yl)amino]methyl]cyclopropane-1-carboxylic 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

5-[[methyl-(1-methylpiperidin-3-yl)amino]methyl]oxolane-2-carboxylic acid
CID 62546964
2-[methyl-(1-methylpiperidin-3-yl)carbamoyl]cyclopentane-1-carboxylic acid
CID 103978705
2-[[methyl-(1-methylpiperidin-3-yl)amino]methyl]-4-propylcyclohexan-1-ol
CID 62609589
N-(methoxymethyl)-N,1-dimethylpiperidin-3-amine
CID 115258466
2-[methyl-[(3R)-1-methylpiperidin-3-yl]amino]ethanol
CID 66565626
2-[[methyl-(1-methylpiperidin-3-yl)amino]methyl]butanedioic acid
CID 115144584
N,1-dimethyl-N-(piperidin-4-ylmethyl)piperidin-3-amine
CID 62546416
N-[[4-(aminomethyl)cyclohexyl]methyl]-N,1-dimethylpiperidin-3-amine
CID 79532954
4-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]cyclohexane-1-carboxylic acid
CID 115149122
N-[(4-aminooxan-3-yl)methyl]-N,1-dimethylpiperidin-3-amine
CID 103059874
1-[methyl-(1-methylpiperidin-3-yl)carbamoyl]pyrrolidine-3-carboxylic acid
CID 63032128
1-methyl-1-(1-methylpiperidin-3-yl)urea
CID 62546065

Frequently Asked Questions

What is the IUPAC name of 2-[[methyl-(1-methylpiperidin-3-yl)amino]methyl]cyclopropane-1-carboxylic acid?
The IUPAC name of 2-[[methyl-(1-methylpiperidin-3-yl)amino]methyl]cyclopropane-1-carboxylic acid (CID 115221459) is 2-[[methyl-(1-methylpiperidin-3-yl)amino]methyl]cyclopropane-1-carboxylic acid.
What is the SMILES notation for 2-[[methyl-(1-methylpiperidin-3-yl)amino]methyl]cyclopropane-1-carboxylic acid?
The canonical SMILES for 2-[[methyl-(1-methylpiperidin-3-yl)amino]methyl]cyclopropane-1-carboxylic acid is CN1CCCC(N(C)CC2CC2C(=O)O)C1.
What is the InChIKey of 2-[[methyl-(1-methylpiperidin-3-yl)amino]methyl]cyclopropane-1-carboxylic acid?
The InChIKey is XQIDDDJDBFGJDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O2/c1-13-5-3-4-10(8-13)14(2)7-9-6-11(9)12(15)16/h9-11H,3-8H2,1-2H3,(H,15,16).
What are the key properties of 2-[[methyl-(1-methylpiperidin-3-yl)amino]methyl]cyclopropane-1-carboxylic acid?
2-[[methyl-(1-methylpiperidin-3-yl)amino]methyl]cyclopropane-1-carboxylic acid has a molecular weight of 226.32 g/mol, XLogP of 0.73, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[methyl-(1-methylpiperidin-3-yl)amino]methyl]cyclopropane-1-carboxylic acid is sourced from PubChem (CID 115221459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).