propan-2-yl 2-(3-methylpiperidin-1-yl)acetate

C11H21NO2 — CID 60683574

IUPACpropan-2-yl 2-(3-methylpiperidin-1-yl)acetate
SMILESCC1CCCN(CC(=O)OC(C)C)C1
InChIInChI=1S/C11H21NO2/c1-9(2)14-11(13)8-12-6-4-5-10(3)7-12/h9-10H,4-8H2,1-3H3
InChIKeyGNDLKRYBBWVNOX-UHFFFAOYSA-N
MW199.29 g/mol
LogP1.67
Rot. Bonds3

About propan-2-yl 2-(3-methylpiperidin-1-yl)acetate

propan-2-yl 2-(3-methylpiperidin-1-yl)acetate (PubChem CID 60683574) has the molecular formula C11H21NO2 and a molecular weight of 199.29 g/mol. Its IUPAC name is propan-2-yl 2-(3-methylpiperidin-1-yl)acetate.

Molecular Properties

Compound Namepropan-2-yl 2-(3-methylpiperidin-1-yl)acetate
PubChem CID60683574
Molecular FormulaC11H21NO2
Molecular Weight199.29 g/mol
Exact Mass199.16
IUPAC Namepropan-2-yl 2-(3-methylpiperidin-1-yl)acetate
SMILESCC1CCCN(CC(=O)OC(C)C)C1
InChIInChI=1S/C11H21NO2/c1-9(2)14-11(13)8-12-6-4-5-10(3)7-12/h9-10H,4-8H2,1-3H3
InChIKeyGNDLKRYBBWVNOX-UHFFFAOYSA-N
XLogP1.67
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.29
LogP ≤ 51.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of propan-2-yl 2-(3-methylpiperidin-1-yl)acetate?
The IUPAC name of propan-2-yl 2-(3-methylpiperidin-1-yl)acetate (CID 60683574) is propan-2-yl 2-(3-methylpiperidin-1-yl)acetate.
What is the SMILES notation for propan-2-yl 2-(3-methylpiperidin-1-yl)acetate?
The canonical SMILES for propan-2-yl 2-(3-methylpiperidin-1-yl)acetate is CC1CCCN(CC(=O)OC(C)C)C1.
What is the InChIKey of propan-2-yl 2-(3-methylpiperidin-1-yl)acetate?
The InChIKey is GNDLKRYBBWVNOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO2/c1-9(2)14-11(13)8-12-6-4-5-10(3)7-12/h9-10H,4-8H2,1-3H3.
What are the key properties of propan-2-yl 2-(3-methylpiperidin-1-yl)acetate?
propan-2-yl 2-(3-methylpiperidin-1-yl)acetate has a molecular weight of 199.29 g/mol, XLogP of 1.67, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 2-(3-methylpiperidin-1-yl)acetate is sourced from PubChem (CID 60683574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).