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

C10H19NO2 — CID 20662468

IUPACethyl 2-(1-methylpiperidin-3-yl)acetate
SMILESCCOC(=O)CC1CCCN(C)C1
InChIInChI=1S/C10H19NO2/c1-3-13-10(12)7-9-5-4-6-11(2)8-9/h9H,3-8H2,1-2H3
InChIKeyQHUPYHIINITADB-UHFFFAOYSA-N
MW185.27 g/mol
LogP1.28
Rot. Bonds3

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

ethyl 2-(1-methylpiperidin-3-yl)acetate (PubChem CID 20662468) has the molecular formula C10H19NO2 and a molecular weight of 185.27 g/mol. Its IUPAC name is ethyl 2-(1-methylpiperidin-3-yl)acetate.

Molecular Properties

Compound Nameethyl 2-(1-methylpiperidin-3-yl)acetate
PubChem CID20662468
Molecular FormulaC10H19NO2
Molecular Weight185.27 g/mol
Exact Mass185.14
IUPAC Nameethyl 2-(1-methylpiperidin-3-yl)acetate
SMILESCCOC(=O)CC1CCCN(C)C1
InChIInChI=1S/C10H19NO2/c1-3-13-10(12)7-9-5-4-6-11(2)8-9/h9H,3-8H2,1-2H3
InChIKeyQHUPYHIINITADB-UHFFFAOYSA-N
XLogP1.28
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.27
LogP ≤ 51.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-(1-methylpiperidin-3-yl)acetate?
The IUPAC name of ethyl 2-(1-methylpiperidin-3-yl)acetate (CID 20662468) is ethyl 2-(1-methylpiperidin-3-yl)acetate.
What is the SMILES notation for ethyl 2-(1-methylpiperidin-3-yl)acetate?
The canonical SMILES for ethyl 2-(1-methylpiperidin-3-yl)acetate is CCOC(=O)CC1CCCN(C)C1.
What is the InChIKey of ethyl 2-(1-methylpiperidin-3-yl)acetate?
The InChIKey is QHUPYHIINITADB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO2/c1-3-13-10(12)7-9-5-4-6-11(2)8-9/h9H,3-8H2,1-2H3.
What are the key properties of ethyl 2-(1-methylpiperidin-3-yl)acetate?
ethyl 2-(1-methylpiperidin-3-yl)acetate has a molecular weight of 185.27 g/mol, XLogP of 1.28, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(1-methylpiperidin-3-yl)acetate is sourced from PubChem (CID 20662468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).