methyl 2-[2-methyl-2-(1-methylpiperidin-2-yl)-1,3-dioxolan-4-yl]acetate

C13H23NO4 — CID 117168973

IUPACmethyl 2-[2-methyl-2-(1-methylpiperidin-2-yl)-1,3-dioxolan-4-yl]acetate
SMILESCOC(=O)CC1COC(C)(C2CCCCN2C)O1
InChIInChI=1S/C13H23NO4/c1-13(11-6-4-5-7-14(11)2)17-9-10(18-13)8-12(15)16-3/h10-11H,4-9H2,1-3H3
InChIKeyDMVZAZQHZFFILG-UHFFFAOYSA-N
MW257.33 g/mol
LogP1.17
Rot. Bonds3

About methyl 2-[2-methyl-2-(1-methylpiperidin-2-yl)-1,3-dioxolan-4-yl]acetate

methyl 2-[2-methyl-2-(1-methylpiperidin-2-yl)-1,3-dioxolan-4-yl]acetate (PubChem CID 117168973) has the molecular formula C13H23NO4 and a molecular weight of 257.33 g/mol. Its IUPAC name is methyl 2-[2-methyl-2-(1-methylpiperidin-2-yl)-1,3-dioxolan-4-yl]acetate.

Molecular Properties

Compound Namemethyl 2-[2-methyl-2-(1-methylpiperidin-2-yl)-1,3-dioxolan-4-yl]acetate
PubChem CID117168973
Molecular FormulaC13H23NO4
Molecular Weight257.33 g/mol
Exact Mass257.16
IUPAC Namemethyl 2-[2-methyl-2-(1-methylpiperidin-2-yl)-1,3-dioxolan-4-yl]acetate
SMILESCOC(=O)CC1COC(C)(C2CCCCN2C)O1
InChIInChI=1S/C13H23NO4/c1-13(11-6-4-5-7-14(11)2)17-9-10(18-13)8-12(15)16-3/h10-11H,4-9H2,1-3H3
InChIKeyDMVZAZQHZFFILG-UHFFFAOYSA-N
XLogP1.17
TPSA48.00 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.33
LogP ≤ 51.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[2-methyl-2-(1-methylpiperidin-2-yl)-1,3-dioxolan-4-yl]acetate?
The IUPAC name of methyl 2-[2-methyl-2-(1-methylpiperidin-2-yl)-1,3-dioxolan-4-yl]acetate (CID 117168973) is methyl 2-[2-methyl-2-(1-methylpiperidin-2-yl)-1,3-dioxolan-4-yl]acetate.
What is the SMILES notation for methyl 2-[2-methyl-2-(1-methylpiperidin-2-yl)-1,3-dioxolan-4-yl]acetate?
The canonical SMILES for methyl 2-[2-methyl-2-(1-methylpiperidin-2-yl)-1,3-dioxolan-4-yl]acetate is COC(=O)CC1COC(C)(C2CCCCN2C)O1.
What is the InChIKey of methyl 2-[2-methyl-2-(1-methylpiperidin-2-yl)-1,3-dioxolan-4-yl]acetate?
The InChIKey is DMVZAZQHZFFILG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO4/c1-13(11-6-4-5-7-14(11)2)17-9-10(18-13)8-12(15)16-3/h10-11H,4-9H2,1-3H3.
What are the key properties of methyl 2-[2-methyl-2-(1-methylpiperidin-2-yl)-1,3-dioxolan-4-yl]acetate?
methyl 2-[2-methyl-2-(1-methylpiperidin-2-yl)-1,3-dioxolan-4-yl]acetate has a molecular weight of 257.33 g/mol, XLogP of 1.17, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[2-methyl-2-(1-methylpiperidin-2-yl)-1,3-dioxolan-4-yl]acetate is sourced from PubChem (CID 117168973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).