[1-[2-(dimethylamino)acetyl]piperidin-4-yl] acetate

C11H20N2O3 — CID 67707547

IUPAC[1-[2-(dimethylamino)acetyl]piperidin-4-yl] acetate
SMILESCC(=O)OC1CCN(C(=O)CN(C)C)CC1
InChIInChI=1S/C11H20N2O3/c1-9(14)16-10-4-6-13(7-5-10)11(15)8-12(2)3/h10H,4-8H2,1-3H3
InChIKeyODOKKVBWCMOEBV-UHFFFAOYSA-N
MW228.29 g/mol
LogP0.10
Rot. Bonds3

About [1-[2-(dimethylamino)acetyl]piperidin-4-yl] acetate

[1-[2-(dimethylamino)acetyl]piperidin-4-yl] acetate (PubChem CID 67707547) has the molecular formula C11H20N2O3 and a molecular weight of 228.29 g/mol. Its IUPAC name is [1-[2-(dimethylamino)acetyl]piperidin-4-yl] acetate.

Molecular Properties

Compound Name[1-[2-(dimethylamino)acetyl]piperidin-4-yl] acetate
PubChem CID67707547
Molecular FormulaC11H20N2O3
Molecular Weight228.29 g/mol
Exact Mass228.15
IUPAC Name[1-[2-(dimethylamino)acetyl]piperidin-4-yl] acetate
SMILESCC(=O)OC1CCN(C(=O)CN(C)C)CC1
InChIInChI=1S/C11H20N2O3/c1-9(14)16-10-4-6-13(7-5-10)11(15)8-12(2)3/h10H,4-8H2,1-3H3
InChIKeyODOKKVBWCMOEBV-UHFFFAOYSA-N
XLogP0.10
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.29
LogP ≤ 50.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [1-[2-(dimethylamino)acetyl]piperidin-4-yl] acetate?
The IUPAC name of [1-[2-(dimethylamino)acetyl]piperidin-4-yl] acetate (CID 67707547) is [1-[2-(dimethylamino)acetyl]piperidin-4-yl] acetate.
What is the SMILES notation for [1-[2-(dimethylamino)acetyl]piperidin-4-yl] acetate?
The canonical SMILES for [1-[2-(dimethylamino)acetyl]piperidin-4-yl] acetate is CC(=O)OC1CCN(C(=O)CN(C)C)CC1.
What is the InChIKey of [1-[2-(dimethylamino)acetyl]piperidin-4-yl] acetate?
The InChIKey is ODOKKVBWCMOEBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O3/c1-9(14)16-10-4-6-13(7-5-10)11(15)8-12(2)3/h10H,4-8H2,1-3H3.
What are the key properties of [1-[2-(dimethylamino)acetyl]piperidin-4-yl] acetate?
[1-[2-(dimethylamino)acetyl]piperidin-4-yl] acetate has a molecular weight of 228.29 g/mol, XLogP of 0.10, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[2-(dimethylamino)acetyl]piperidin-4-yl] acetate is sourced from PubChem (CID 67707547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).