ethyl (6-methylpiperidin-3-yl) carbonate

C9H17NO3 — CID 67882011

IUPACethyl (6-methylpiperidin-3-yl) carbonate
SMILESCCOC(=O)OC1CCC(C)NC1
InChIInChI=1S/C9H17NO3/c1-3-12-9(11)13-8-5-4-7(2)10-6-8/h7-8,10H,3-6H2,1-2H3
InChIKeyIEFKLYIJTJUJCS-UHFFFAOYSA-N
MW187.24 g/mol
LogP1.30
Rot. Bonds2

About ethyl (6-methylpiperidin-3-yl) carbonate

ethyl (6-methylpiperidin-3-yl) carbonate (PubChem CID 67882011) has the molecular formula C9H17NO3 and a molecular weight of 187.24 g/mol. Its IUPAC name is ethyl (6-methylpiperidin-3-yl) carbonate.

Molecular Properties

Compound Nameethyl (6-methylpiperidin-3-yl) carbonate
PubChem CID67882011
Molecular FormulaC9H17NO3
Molecular Weight187.24 g/mol
Exact Mass187.12
IUPAC Nameethyl (6-methylpiperidin-3-yl) carbonate
SMILESCCOC(=O)OC1CCC(C)NC1
InChIInChI=1S/C9H17NO3/c1-3-12-9(11)13-8-5-4-7(2)10-6-8/h7-8,10H,3-6H2,1-2H3
InChIKeyIEFKLYIJTJUJCS-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

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Frequently Asked Questions

What is the IUPAC name of ethyl (6-methylpiperidin-3-yl) carbonate?
The IUPAC name of ethyl (6-methylpiperidin-3-yl) carbonate (CID 67882011) is ethyl (6-methylpiperidin-3-yl) carbonate.
What is the SMILES notation for ethyl (6-methylpiperidin-3-yl) carbonate?
The canonical SMILES for ethyl (6-methylpiperidin-3-yl) carbonate is CCOC(=O)OC1CCC(C)NC1.
What is the InChIKey of ethyl (6-methylpiperidin-3-yl) carbonate?
The InChIKey is IEFKLYIJTJUJCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO3/c1-3-12-9(11)13-8-5-4-7(2)10-6-8/h7-8,10H,3-6H2,1-2H3.
What are the key properties of ethyl (6-methylpiperidin-3-yl) carbonate?
ethyl (6-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 (6-methylpiperidin-3-yl) carbonate is sourced from PubChem (CID 67882011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).