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

C13H23NO4 — CID 117169263

IUPACmethyl 2-[2-[(1-methylpiperidin-3-yl)methyl]-1,3-dioxolan-4-yl]acetate
SMILESCOC(=O)CC1COC(CC2CCCN(C)C2)O1
InChIInChI=1S/C13H23NO4/c1-14-5-3-4-10(8-14)6-13-17-9-11(18-13)7-12(15)16-2/h10-11,13H,3-9H2,1-2H3
InChIKeyMCAKTQNPEAZLEJ-UHFFFAOYSA-N
MW257.33 g/mol
LogP1.02
Rot. Bonds4

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

methyl 2-[2-[(1-methylpiperidin-3-yl)methyl]-1,3-dioxolan-4-yl]acetate (PubChem CID 117169263) has the molecular formula C13H23NO4 and a molecular weight of 257.33 g/mol. Its IUPAC name is methyl 2-[2-[(1-methylpiperidin-3-yl)methyl]-1,3-dioxolan-4-yl]acetate.

Molecular Properties

Compound Namemethyl 2-[2-[(1-methylpiperidin-3-yl)methyl]-1,3-dioxolan-4-yl]acetate
PubChem CID117169263
Molecular FormulaC13H23NO4
Molecular Weight257.33 g/mol
Exact Mass257.16
IUPAC Namemethyl 2-[2-[(1-methylpiperidin-3-yl)methyl]-1,3-dioxolan-4-yl]acetate
SMILESCOC(=O)CC1COC(CC2CCCN(C)C2)O1
InChIInChI=1S/C13H23NO4/c1-14-5-3-4-10(8-14)6-13-17-9-11(18-13)7-12(15)16-2/h10-11,13H,3-9H2,1-2H3
InChIKeyMCAKTQNPEAZLEJ-UHFFFAOYSA-N
XLogP1.02
TPSA48.00 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.33
LogP ≤ 51.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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

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Related Compounds

methyl 2-[2-(oxan-2-ylmethyl)-1,3-dioxolan-4-yl]acetate
CID 117169151
methyl 4-[(1-methylpiperidin-3-yl)methyl]pyrrolidine-2-carboxylate
CID 117270104
2-[2-[(1-ethylpiperidin-4-yl)methyl]-1,3-dioxolan-4-yl]acetic acid
CID 117168680
2-[(3R)-1-methylpiperidin-3-yl]acetic acid
CID 67245614
2-[2-(thian-4-ylmethyl)-1,3-dioxolan-4-yl]acetic acid
CID 117168668
4-methyl-2-[(1-methylpiperidin-3-yl)methyl]morpholine
CID 123811908
methyl 2-[5-[[(1-methylpiperidin-3-yl)methylamino]methyl]thiophen-2-yl]acetate
CID 82893926
methyl 3-[(1-methylpyrrolidin-3-yl)methyl]but-3-enoate
CID 117268361
methyl 2-[(2R,4S,5R)-4-hydroxy-5-methyloxolan-2-yl]acetate
CID 11105849
methane;methyl 2-(1-methylpiperidin-4-yl)acetate
CID 160918320
methyl 2-(1-methylpiperidin-4-yl)acetate;hydrochloride
CID 170913421
methyl 2-[(2R,4R,5R)-4-hydroxy-5-methyloxolan-2-yl]acetate
CID 10931919

Frequently Asked Questions

What is the IUPAC name of methyl 2-[2-[(1-methylpiperidin-3-yl)methyl]-1,3-dioxolan-4-yl]acetate?
The IUPAC name of methyl 2-[2-[(1-methylpiperidin-3-yl)methyl]-1,3-dioxolan-4-yl]acetate (CID 117169263) is methyl 2-[2-[(1-methylpiperidin-3-yl)methyl]-1,3-dioxolan-4-yl]acetate.
What is the SMILES notation for methyl 2-[2-[(1-methylpiperidin-3-yl)methyl]-1,3-dioxolan-4-yl]acetate?
The canonical SMILES for methyl 2-[2-[(1-methylpiperidin-3-yl)methyl]-1,3-dioxolan-4-yl]acetate is COC(=O)CC1COC(CC2CCCN(C)C2)O1.
What is the InChIKey of methyl 2-[2-[(1-methylpiperidin-3-yl)methyl]-1,3-dioxolan-4-yl]acetate?
The InChIKey is MCAKTQNPEAZLEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO4/c1-14-5-3-4-10(8-14)6-13-17-9-11(18-13)7-12(15)16-2/h10-11,13H,3-9H2,1-2H3.
What are the key properties of methyl 2-[2-[(1-methylpiperidin-3-yl)methyl]-1,3-dioxolan-4-yl]acetate?
methyl 2-[2-[(1-methylpiperidin-3-yl)methyl]-1,3-dioxolan-4-yl]acetate has a molecular weight of 257.33 g/mol, XLogP of 1.02, 4 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-3-yl)methyl]-1,3-dioxolan-4-yl]acetate is sourced from PubChem (CID 117169263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).