3-[[methyl-[(1-methylpiperidin-4-yl)methyl]amino]methyl]oxetane-3-carboxylic acid

C13H24N2O3 — CID 115248494

IUPAC3-[[methyl-[(1-methylpiperidin-4-yl)methyl]amino]methyl]oxetane-3-carboxylic acid
SMILESCN1CCC(CN(C)CC2(C(=O)O)COC2)CC1
InChIInChI=1S/C13H24N2O3/c1-14-5-3-11(4-6-14)7-15(2)8-13(12(16)17)9-18-10-13/h11H,3-10H2,1-2H3,(H,16,17)
InChIKeyHEHRQFKUNFMXPI-UHFFFAOYSA-N
MW256.35 g/mol
LogP0.36
Rot. Bonds5

About 3-[[methyl-[(1-methylpiperidin-4-yl)methyl]amino]methyl]oxetane-3-carboxylic acid

3-[[methyl-[(1-methylpiperidin-4-yl)methyl]amino]methyl]oxetane-3-carboxylic acid (PubChem CID 115248494) has the molecular formula C13H24N2O3 and a molecular weight of 256.35 g/mol. Its IUPAC name is 3-[[methyl-[(1-methylpiperidin-4-yl)methyl]amino]methyl]oxetane-3-carboxylic acid.

Molecular Properties

Compound Name3-[[methyl-[(1-methylpiperidin-4-yl)methyl]amino]methyl]oxetane-3-carboxylic acid
PubChem CID115248494
Molecular FormulaC13H24N2O3
Molecular Weight256.35 g/mol
Exact Mass256.18
IUPAC Name3-[[methyl-[(1-methylpiperidin-4-yl)methyl]amino]methyl]oxetane-3-carboxylic acid
SMILESCN1CCC(CN(C)CC2(C(=O)O)COC2)CC1
InChIInChI=1S/C13H24N2O3/c1-14-5-3-11(4-6-14)7-15(2)8-13(12(16)17)9-18-10-13/h11H,3-10H2,1-2H3,(H,16,17)
InChIKeyHEHRQFKUNFMXPI-UHFFFAOYSA-N
XLogP0.36
TPSA53.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 50.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]methyl]oxetane-3-carboxylic acid
CID 115248496
2-[1-[[methyl-[(1-methylpiperidin-4-yl)methyl]amino]methyl]cyclopropyl]acetic acid
CID 65498240
1-[[methyl(oxan-4-ylmethyl)amino]methyl]cyclopentane-1-carboxylic acid
CID 63711312
1-[[methyl(oxan-4-ylmethyl)amino]methyl]cyclobutane-1-carboxylic acid
CID 115246585
1-[[methyl(oxan-4-ylmethyl)amino]methyl]cyclohexane-1-carboxylic acid
CID 63712173
[1-[[methyl-[(1-methylpiperidin-4-yl)methyl]amino]methyl]cyclopropyl]methanol
CID 115243609
methyl 3-[[methyl(oxan-4-ylmethyl)amino]methyl]oxetane-3-carboxylate
CID 115248715
N-methyl-1-(1-methylpiperidin-4-yl)-N-[(1-methylpiperidin-4-yl)methyl]methanamine
CID 169319670
methyl 1-[[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]methyl]cyclopropane-1-carboxylate
CID 115247638
4-[[methyl-[(1-methylpiperidin-4-yl)methyl]amino]methyl]oxane-4-carbaldehyde
CID 55175195
1-[(1-methylpiperidin-4-yl)methyl]cyclopropane-1-carboxylic acid
CID 116928821
4-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]butan-2-one
CID 63236414

Frequently Asked Questions

What is the IUPAC name of 3-[[methyl-[(1-methylpiperidin-4-yl)methyl]amino]methyl]oxetane-3-carboxylic acid?
The IUPAC name of 3-[[methyl-[(1-methylpiperidin-4-yl)methyl]amino]methyl]oxetane-3-carboxylic acid (CID 115248494) is 3-[[methyl-[(1-methylpiperidin-4-yl)methyl]amino]methyl]oxetane-3-carboxylic acid.
What is the SMILES notation for 3-[[methyl-[(1-methylpiperidin-4-yl)methyl]amino]methyl]oxetane-3-carboxylic acid?
The canonical SMILES for 3-[[methyl-[(1-methylpiperidin-4-yl)methyl]amino]methyl]oxetane-3-carboxylic acid is CN1CCC(CN(C)CC2(C(=O)O)COC2)CC1.
What is the InChIKey of 3-[[methyl-[(1-methylpiperidin-4-yl)methyl]amino]methyl]oxetane-3-carboxylic acid?
The InChIKey is HEHRQFKUNFMXPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O3/c1-14-5-3-11(4-6-14)7-15(2)8-13(12(16)17)9-18-10-13/h11H,3-10H2,1-2H3,(H,16,17).
What are the key properties of 3-[[methyl-[(1-methylpiperidin-4-yl)methyl]amino]methyl]oxetane-3-carboxylic acid?
3-[[methyl-[(1-methylpiperidin-4-yl)methyl]amino]methyl]oxetane-3-carboxylic acid has a molecular weight of 256.35 g/mol, XLogP of 0.36, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[methyl-[(1-methylpiperidin-4-yl)methyl]amino]methyl]oxetane-3-carboxylic acid is sourced from PubChem (CID 115248494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).