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

C12H24N2O2 — CID 63236412

IUPAC2-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]butanoic acid
SMILESCCC(C(=O)O)N(C)CC1CCN(C)CC1
InChIInChI=1S/C12H24N2O2/c1-4-11(12(15)16)14(3)9-10-5-7-13(2)8-6-10/h10-11H,4-9H2,1-3H3,(H,15,16)
InChIKeyWGZPHWUNDHBDDG-UHFFFAOYSA-N
MW228.34 g/mol
LogP1.12
Rot. Bonds5

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

2-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]butanoic acid (PubChem CID 63236412) has the molecular formula C12H24N2O2 and a molecular weight of 228.34 g/mol. Its IUPAC name is 2-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]butanoic acid.

Molecular Properties

Compound Name2-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]butanoic acid
PubChem CID63236412
Molecular FormulaC12H24N2O2
Molecular Weight228.34 g/mol
Exact Mass228.18
IUPAC Name2-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]butanoic acid
SMILESCCC(C(=O)O)N(C)CC1CCN(C)CC1
InChIInChI=1S/C12H24N2O2/c1-4-11(12(15)16)14(3)9-10-5-7-13(2)8-6-10/h10-11H,4-9H2,1-3H3,(H,15,16)
InChIKeyWGZPHWUNDHBDDG-UHFFFAOYSA-N
XLogP1.12
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.34
LogP ≤ 51.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]pentanehydrazide
CID 83048313
3-methyl-4-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]-4-oxobutanoic acid
CID 115164651
2-[methyl-[(1-methylpyrrolidin-3-yl)methyl]carbamoyl]butanoic acid
CID 115186041
N-methyl-1-(1-methylpiperidin-4-yl)-N-[(1-methylpiperidin-4-yl)methyl]methanamine
CID 169319670
2-[cyclopentylmethyl(methyl)amino]butanamide
CID 62923981
2-ethoxy-4-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]butanoic acid
CID 63234287
2-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]-1-phenylpropan-1-one
CID 63236552
3-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]pentanethioamide
CID 63236538
2-[[methyl-[2-(1-methylpiperidin-4-yl)ethyl]amino]methyl]butanoic acid
CID 115250133
2-methyl-2-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]propanoic acid
CID 115128042
2-cyclopropyl-2-[[methyl-[(1-methylpiperidin-4-yl)methyl]carbamoyl]amino]acetic acid
CID 63235139
4-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]butan-2-one
CID 63236414

Frequently Asked Questions

What is the IUPAC name of 2-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]butanoic acid?
The IUPAC name of 2-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]butanoic acid (CID 63236412) is 2-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]butanoic acid.
What is the SMILES notation for 2-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]butanoic acid?
The canonical SMILES for 2-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]butanoic acid is CCC(C(=O)O)N(C)CC1CCN(C)CC1.
What is the InChIKey of 2-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]butanoic acid?
The InChIKey is WGZPHWUNDHBDDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O2/c1-4-11(12(15)16)14(3)9-10-5-7-13(2)8-6-10/h10-11H,4-9H2,1-3H3,(H,15,16).
What are the key properties of 2-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]butanoic acid?
2-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]butanoic acid has a molecular weight of 228.34 g/mol, XLogP of 1.12, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]butanoic acid is sourced from PubChem (CID 63236412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).