ethyl (2-methylpiperidin-3-yl) carbonate

C9H17NO3 — CID 67882012

IUPACethyl (2-methylpiperidin-3-yl) carbonate
SMILESCCOC(=O)OC1CCCNC1C
InChIInChI=1S/C9H17NO3/c1-3-12-9(11)13-8-5-4-6-10-7(8)2/h7-8,10H,3-6H2,1-2H3
InChIKeyWNTCQLDBGBRHLU-UHFFFAOYSA-N
MW187.24 g/mol
LogP1.30
Rot. Bonds2

About ethyl (2-methylpiperidin-3-yl) carbonate

ethyl (2-methylpiperidin-3-yl) carbonate (PubChem CID 67882012) has the molecular formula C9H17NO3 and a molecular weight of 187.24 g/mol. Its IUPAC name is ethyl (2-methylpiperidin-3-yl) carbonate.

Molecular Properties

Compound Nameethyl (2-methylpiperidin-3-yl) carbonate
PubChem CID67882012
Molecular FormulaC9H17NO3
Molecular Weight187.24 g/mol
Exact Mass187.12
IUPAC Nameethyl (2-methylpiperidin-3-yl) carbonate
SMILESCCOC(=O)OC1CCCNC1C
InChIInChI=1S/C9H17NO3/c1-3-12-9(11)13-8-5-4-6-10-7(8)2/h7-8,10H,3-6H2,1-2H3
InChIKeyWNTCQLDBGBRHLU-UHFFFAOYSA-N
XLogP1.30
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.24
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze ethyl (2-methylpiperidin-3-yl) carbonate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of ethyl (2-methylpiperidin-3-yl) carbonate?
The IUPAC name of ethyl (2-methylpiperidin-3-yl) carbonate (CID 67882012) is ethyl (2-methylpiperidin-3-yl) carbonate.
What is the SMILES notation for ethyl (2-methylpiperidin-3-yl) carbonate?
The canonical SMILES for ethyl (2-methylpiperidin-3-yl) carbonate is CCOC(=O)OC1CCCNC1C.
What is the InChIKey of ethyl (2-methylpiperidin-3-yl) carbonate?
The InChIKey is WNTCQLDBGBRHLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO3/c1-3-12-9(11)13-8-5-4-6-10-7(8)2/h7-8,10H,3-6H2,1-2H3.
What are the key properties of ethyl (2-methylpiperidin-3-yl) carbonate?
ethyl (2-methylpiperidin-3-yl) carbonate has a molecular weight of 187.24 g/mol, XLogP of 1.30, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (2-methylpiperidin-3-yl) carbonate is sourced from PubChem (CID 67882012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).