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

C11H22N2O2 — CID 20992330

IUPAC4-[methyl-(1-methylpiperidin-4-yl)amino]butanoic acid
SMILESCN1CCC(N(C)CCCC(=O)O)CC1
InChIInChI=1S/C11H22N2O2/c1-12-8-5-10(6-9-12)13(2)7-3-4-11(14)15/h10H,3-9H2,1-2H3,(H,14,15)
InChIKeyMEFUPYDOMCLXMH-UHFFFAOYSA-N
MW214.31 g/mol
LogP0.88
Rot. Bonds5

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

4-[methyl-(1-methylpiperidin-4-yl)amino]butanoic acid (PubChem CID 20992330) has the molecular formula C11H22N2O2 and a molecular weight of 214.31 g/mol. Its IUPAC name is 4-[methyl-(1-methylpiperidin-4-yl)amino]butanoic acid.

Molecular Properties

Compound Name4-[methyl-(1-methylpiperidin-4-yl)amino]butanoic acid
PubChem CID20992330
Molecular FormulaC11H22N2O2
Molecular Weight214.31 g/mol
Exact Mass214.17
IUPAC Name4-[methyl-(1-methylpiperidin-4-yl)amino]butanoic acid
SMILESCN1CCC(N(C)CCCC(=O)O)CC1
InChIInChI=1S/C11H22N2O2/c1-12-8-5-10(6-9-12)13(2)7-3-4-11(14)15/h10H,3-9H2,1-2H3,(H,14,15)
InChIKeyMEFUPYDOMCLXMH-UHFFFAOYSA-N
XLogP0.88
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.31
LogP ≤ 50.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Butyric acid, 4-piperidino-
CID 20794
4-(Piperidin-1-yl)butanoic acid hydrochloride
CID 13172081
4-(2-Methylpiperidin-1-yl)pentanoic acid--hydrogen chloride (1/1)
CID 113719
1,4-Dimethyl-2-piperazineacetic acid
CID 3146197
1-Isopropylpiperidine-4-Carboxylic Acid
CID 6484187
1-(Propan-2-yl)piperidine-4-carboxylic acid hydrochloride
CID 45075031
1'-Methyl(1,4'-bipiperidine)-4-carboxylic acid
CID 2761156
3-(1-Piperidinyl)butanoic acid
CID 10512494
4-(Isopropyl(methyl)amino)butanoic acid
CID 21027685
3-Fluoro-1-propan-2-ylpiperidine-4-carboxylic acid
CID 177299482
4-[Cyclopropyl-(1-methylpiperidin-4-yl)amino]-4-oxobutanoic acid
CID 3559936
1-(Pentan-3-YL)piperidine-4-carboxylic acid
CID 65056092

Frequently Asked Questions

What is the IUPAC name of 4-[methyl-(1-methylpiperidin-4-yl)amino]butanoic acid?
The IUPAC name of 4-[methyl-(1-methylpiperidin-4-yl)amino]butanoic acid (CID 20992330) is 4-[methyl-(1-methylpiperidin-4-yl)amino]butanoic acid.
What is the SMILES notation for 4-[methyl-(1-methylpiperidin-4-yl)amino]butanoic acid?
The canonical SMILES for 4-[methyl-(1-methylpiperidin-4-yl)amino]butanoic acid is CN1CCC(N(C)CCCC(=O)O)CC1.
What is the InChIKey of 4-[methyl-(1-methylpiperidin-4-yl)amino]butanoic acid?
The InChIKey is MEFUPYDOMCLXMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O2/c1-12-8-5-10(6-9-12)13(2)7-3-4-11(14)15/h10H,3-9H2,1-2H3,(H,14,15).
What are the key properties of 4-[methyl-(1-methylpiperidin-4-yl)amino]butanoic acid?
4-[methyl-(1-methylpiperidin-4-yl)amino]butanoic acid has a molecular weight of 214.31 g/mol, XLogP of 0.88, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[methyl-(1-methylpiperidin-4-yl)amino]butanoic acid is sourced from PubChem (CID 20992330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).