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

C13H24N2O3 — CID 115248655

IUPACmethyl 3-[[methyl-(1-methylpiperidin-4-yl)amino]methyl]oxetane-3-carboxylate
SMILESCOC(=O)C1(CN(C)C2CCN(C)CC2)COC1
InChIInChI=1S/C13H24N2O3/c1-14-6-4-11(5-7-14)15(2)8-13(9-18-10-13)12(16)17-3/h11H,4-10H2,1-3H3
InChIKeyYMBMJKFPXQAWEP-UHFFFAOYSA-N
MW256.35 g/mol
LogP0.20
Rot. Bonds4

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

methyl 3-[[methyl-(1-methylpiperidin-4-yl)amino]methyl]oxetane-3-carboxylate (PubChem CID 115248655) has the molecular formula C13H24N2O3 and a molecular weight of 256.35 g/mol. Its IUPAC name is methyl 3-[[methyl-(1-methylpiperidin-4-yl)amino]methyl]oxetane-3-carboxylate.

Molecular Properties

Compound Namemethyl 3-[[methyl-(1-methylpiperidin-4-yl)amino]methyl]oxetane-3-carboxylate
PubChem CID115248655
Molecular FormulaC13H24N2O3
Molecular Weight256.35 g/mol
Exact Mass256.18
IUPAC Namemethyl 3-[[methyl-(1-methylpiperidin-4-yl)amino]methyl]oxetane-3-carboxylate
SMILESCOC(=O)C1(CN(C)C2CCN(C)CC2)COC1
InChIInChI=1S/C13H24N2O3/c1-14-6-4-11(5-7-14)15(2)8-13(9-18-10-13)12(16)17-3/h11H,4-10H2,1-3H3
InChIKeyYMBMJKFPXQAWEP-UHFFFAOYSA-N
XLogP0.20
TPSA42.01 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 50.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 3-[[methyl-(1-methylpiperidin-4-yl)amino]methyl]oxetane-3-carboxylate?
The IUPAC name of methyl 3-[[methyl-(1-methylpiperidin-4-yl)amino]methyl]oxetane-3-carboxylate (CID 115248655) is methyl 3-[[methyl-(1-methylpiperidin-4-yl)amino]methyl]oxetane-3-carboxylate.
What is the SMILES notation for methyl 3-[[methyl-(1-methylpiperidin-4-yl)amino]methyl]oxetane-3-carboxylate?
The canonical SMILES for methyl 3-[[methyl-(1-methylpiperidin-4-yl)amino]methyl]oxetane-3-carboxylate is COC(=O)C1(CN(C)C2CCN(C)CC2)COC1.
What is the InChIKey of methyl 3-[[methyl-(1-methylpiperidin-4-yl)amino]methyl]oxetane-3-carboxylate?
The InChIKey is YMBMJKFPXQAWEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O3/c1-14-6-4-11(5-7-14)15(2)8-13(9-18-10-13)12(16)17-3/h11H,4-10H2,1-3H3.
What are the key properties of methyl 3-[[methyl-(1-methylpiperidin-4-yl)amino]methyl]oxetane-3-carboxylate?
methyl 3-[[methyl-(1-methylpiperidin-4-yl)amino]methyl]oxetane-3-carboxylate has a molecular weight of 256.35 g/mol, XLogP of 0.20, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[[methyl-(1-methylpiperidin-4-yl)amino]methyl]oxetane-3-carboxylate is sourced from PubChem (CID 115248655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).