(1,4-dimethylpiperidin-2-yl)methyl 2-(dimethylamino)acetate

C12H24N2O2 — CID 54055274

IUPAC(1,4-dimethylpiperidin-2-yl)methyl 2-(dimethylamino)acetate
SMILESCC1CCN(C)C(COC(=O)CN(C)C)C1
InChIInChI=1S/C12H24N2O2/c1-10-5-6-14(4)11(7-10)9-16-12(15)8-13(2)3/h10-11H,5-9H2,1-4H3
InChIKeyLVUIOYMWVQGTDG-UHFFFAOYSA-N
MW228.34 g/mol
LogP0.82
Rot. Bonds4

About (1,4-dimethylpiperidin-2-yl)methyl 2-(dimethylamino)acetate

(1,4-dimethylpiperidin-2-yl)methyl 2-(dimethylamino)acetate (PubChem CID 54055274) has the molecular formula C12H24N2O2 and a molecular weight of 228.34 g/mol. Its IUPAC name is (1,4-dimethylpiperidin-2-yl)methyl 2-(dimethylamino)acetate.

Molecular Properties

Compound Name(1,4-dimethylpiperidin-2-yl)methyl 2-(dimethylamino)acetate
PubChem CID54055274
Molecular FormulaC12H24N2O2
Molecular Weight228.34 g/mol
Exact Mass228.18
IUPAC Name(1,4-dimethylpiperidin-2-yl)methyl 2-(dimethylamino)acetate
SMILESCC1CCN(C)C(COC(=O)CN(C)C)C1
InChIInChI=1S/C12H24N2O2/c1-10-5-6-14(4)11(7-10)9-16-12(15)8-13(2)3/h10-11H,5-9H2,1-4H3
InChIKeyLVUIOYMWVQGTDG-UHFFFAOYSA-N
XLogP0.82
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.34
LogP ≤ 50.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (1,4-dimethylpiperidin-2-yl)methyl 2-(dimethylamino)acetate?
The IUPAC name of (1,4-dimethylpiperidin-2-yl)methyl 2-(dimethylamino)acetate (CID 54055274) is (1,4-dimethylpiperidin-2-yl)methyl 2-(dimethylamino)acetate.
What is the SMILES notation for (1,4-dimethylpiperidin-2-yl)methyl 2-(dimethylamino)acetate?
The canonical SMILES for (1,4-dimethylpiperidin-2-yl)methyl 2-(dimethylamino)acetate is CC1CCN(C)C(COC(=O)CN(C)C)C1.
What is the InChIKey of (1,4-dimethylpiperidin-2-yl)methyl 2-(dimethylamino)acetate?
The InChIKey is LVUIOYMWVQGTDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O2/c1-10-5-6-14(4)11(7-10)9-16-12(15)8-13(2)3/h10-11H,5-9H2,1-4H3.
What are the key properties of (1,4-dimethylpiperidin-2-yl)methyl 2-(dimethylamino)acetate?
(1,4-dimethylpiperidin-2-yl)methyl 2-(dimethylamino)acetate has a molecular weight of 228.34 g/mol, XLogP of 0.82, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1,4-dimethylpiperidin-2-yl)methyl 2-(dimethylamino)acetate is sourced from PubChem (CID 54055274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).