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

C12H21NO4 — CID 117168969

IUPACmethyl 2-[2-(1-methylpiperidin-2-yl)-1,3-dioxolan-4-yl]acetate
SMILESCOC(=O)CC1COC(C2CCCCN2C)O1
InChIInChI=1S/C12H21NO4/c1-13-6-4-3-5-10(13)12-16-8-9(17-12)7-11(14)15-2/h9-10,12H,3-8H2,1-2H3
InChIKeyYJBPGKSBYUMGLO-UHFFFAOYSA-N
MW243.30 g/mol
LogP0.78
Rot. Bonds3

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

methyl 2-[2-(1-methylpiperidin-2-yl)-1,3-dioxolan-4-yl]acetate (PubChem CID 117168969) has the molecular formula C12H21NO4 and a molecular weight of 243.30 g/mol. Its IUPAC name is methyl 2-[2-(1-methylpiperidin-2-yl)-1,3-dioxolan-4-yl]acetate.

Molecular Properties

Compound Namemethyl 2-[2-(1-methylpiperidin-2-yl)-1,3-dioxolan-4-yl]acetate
PubChem CID117168969
Molecular FormulaC12H21NO4
Molecular Weight243.30 g/mol
Exact Mass243.15
IUPAC Namemethyl 2-[2-(1-methylpiperidin-2-yl)-1,3-dioxolan-4-yl]acetate
SMILESCOC(=O)CC1COC(C2CCCCN2C)O1
InChIInChI=1S/C12H21NO4/c1-13-6-4-3-5-10(13)12-16-8-9(17-12)7-11(14)15-2/h9-10,12H,3-8H2,1-2H3
InChIKeyYJBPGKSBYUMGLO-UHFFFAOYSA-N
XLogP0.78
TPSA48.00 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.30
LogP ≤ 50.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[2-(1-methylpiperidin-2-yl)-1,3-dioxolan-4-yl]acetate?
The IUPAC name of methyl 2-[2-(1-methylpiperidin-2-yl)-1,3-dioxolan-4-yl]acetate (CID 117168969) is methyl 2-[2-(1-methylpiperidin-2-yl)-1,3-dioxolan-4-yl]acetate.
What is the SMILES notation for methyl 2-[2-(1-methylpiperidin-2-yl)-1,3-dioxolan-4-yl]acetate?
The canonical SMILES for methyl 2-[2-(1-methylpiperidin-2-yl)-1,3-dioxolan-4-yl]acetate is COC(=O)CC1COC(C2CCCCN2C)O1.
What is the InChIKey of methyl 2-[2-(1-methylpiperidin-2-yl)-1,3-dioxolan-4-yl]acetate?
The InChIKey is YJBPGKSBYUMGLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO4/c1-13-6-4-3-5-10(13)12-16-8-9(17-12)7-11(14)15-2/h9-10,12H,3-8H2,1-2H3.
What are the key properties of methyl 2-[2-(1-methylpiperidin-2-yl)-1,3-dioxolan-4-yl]acetate?
methyl 2-[2-(1-methylpiperidin-2-yl)-1,3-dioxolan-4-yl]acetate has a molecular weight of 243.30 g/mol, XLogP of 0.78, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[2-(1-methylpiperidin-2-yl)-1,3-dioxolan-4-yl]acetate is sourced from PubChem (CID 117168969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).