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

C13H26N2O2 — CID 115250032

IUPAC2-[[methyl-[(1-methylpiperidin-3-yl)methyl]amino]methyl]butanoic acid
SMILESCCC(CN(C)CC1CCCN(C)C1)C(=O)O
InChIInChI=1S/C13H26N2O2/c1-4-12(13(16)17)10-15(3)9-11-6-5-7-14(2)8-11/h11-12H,4-10H2,1-3H3,(H,16,17)
InChIKeyFNWHQTLWUXAULK-UHFFFAOYSA-N
MW242.36 g/mol
LogP1.37
Rot. Bonds6

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

2-[[methyl-[(1-methylpiperidin-3-yl)methyl]amino]methyl]butanoic acid (PubChem CID 115250032) has the molecular formula C13H26N2O2 and a molecular weight of 242.36 g/mol. Its IUPAC name is 2-[[methyl-[(1-methylpiperidin-3-yl)methyl]amino]methyl]butanoic acid.

Molecular Properties

Compound Name2-[[methyl-[(1-methylpiperidin-3-yl)methyl]amino]methyl]butanoic acid
PubChem CID115250032
Molecular FormulaC13H26N2O2
Molecular Weight242.36 g/mol
Exact Mass242.20
IUPAC Name2-[[methyl-[(1-methylpiperidin-3-yl)methyl]amino]methyl]butanoic acid
SMILESCCC(CN(C)CC1CCCN(C)C1)C(=O)O
InChIInChI=1S/C13H26N2O2/c1-4-12(13(16)17)10-15(3)9-11-6-5-7-14(2)8-11/h11-12H,4-10H2,1-3H3,(H,16,17)
InChIKeyFNWHQTLWUXAULK-UHFFFAOYSA-N
XLogP1.37
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.36
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[methyl-[(1-methylpiperidin-3-yl)methyl]amino]methyl]butan-1-ol
CID 115250966
4-hydroxy-5-[methyl-[(1-methylpiperidin-3-yl)methyl]amino]pentanoic acid
CID 115122756
2-[[methyl-[2-(1-methylpiperidin-4-yl)ethyl]amino]methyl]butanoic acid
CID 115250133
2-[[methyl-(1-methylpiperidin-3-yl)amino]methyl]butanedioic acid
CID 115144584
2-[[(1-methylpiperidin-4-yl)methylamino]methyl]butanoic acid
CID 115249968
N-(methoxymethyl)-N-methyl-1-(1-methylpiperidin-3-yl)methanamine
CID 115258790
2-[methyl-[(1-methylpyrrolidin-3-yl)methyl]carbamoyl]butanoic acid
CID 115186041
2-(methylamino)-3-[methyl-[2-(1-methylpiperidin-3-yl)ethyl]amino]propanoic acid
CID 115256304
3-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]-2-phenylpropanoic acid
CID 63275293
2-(aminomethyl)-N-methyl-N-(1-methylpiperidin-3-yl)butanamide
CID 62547118
2-[methyl-[[(3S)-1-methylpyrrolidin-3-yl]methyl]amino]acetic acid
CID 96639224
1-methyl-1-[(1-methylpiperidin-3-yl)methyl]urea
CID 115168460

Frequently Asked Questions

What is the IUPAC name of 2-[[methyl-[(1-methylpiperidin-3-yl)methyl]amino]methyl]butanoic acid?
The IUPAC name of 2-[[methyl-[(1-methylpiperidin-3-yl)methyl]amino]methyl]butanoic acid (CID 115250032) is 2-[[methyl-[(1-methylpiperidin-3-yl)methyl]amino]methyl]butanoic acid.
What is the SMILES notation for 2-[[methyl-[(1-methylpiperidin-3-yl)methyl]amino]methyl]butanoic acid?
The canonical SMILES for 2-[[methyl-[(1-methylpiperidin-3-yl)methyl]amino]methyl]butanoic acid is CCC(CN(C)CC1CCCN(C)C1)C(=O)O.
What is the InChIKey of 2-[[methyl-[(1-methylpiperidin-3-yl)methyl]amino]methyl]butanoic acid?
The InChIKey is FNWHQTLWUXAULK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O2/c1-4-12(13(16)17)10-15(3)9-11-6-5-7-14(2)8-11/h11-12H,4-10H2,1-3H3,(H,16,17).
What are the key properties of 2-[[methyl-[(1-methylpiperidin-3-yl)methyl]amino]methyl]butanoic acid?
2-[[methyl-[(1-methylpiperidin-3-yl)methyl]amino]methyl]butanoic acid has a molecular weight of 242.36 g/mol, XLogP of 1.37, 6 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)methyl]amino]methyl]butanoic acid is sourced from PubChem (CID 115250032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).