piperidin-4-yl N-ethylcarbamate

C8H16N2O2 — CID 20569908

IUPACpiperidin-4-yl N-ethylcarbamate
SMILESCCNC(=O)OC1CCNCC1
InChIInChI=1S/C8H16N2O2/c1-2-10-8(11)12-7-3-5-9-6-4-7/h7,9H,2-6H2,1H3,(H,10,11)
InChIKeyJIYLLYLKTJCEEL-UHFFFAOYSA-N
MW172.23 g/mol
LogP0.48
Rot. Bonds2

About piperidin-4-yl N-ethylcarbamate

piperidin-4-yl N-ethylcarbamate (PubChem CID 20569908) has the molecular formula C8H16N2O2 and a molecular weight of 172.23 g/mol. Its IUPAC name is piperidin-4-yl N-ethylcarbamate.

Molecular Properties

Compound Namepiperidin-4-yl N-ethylcarbamate
PubChem CID20569908
Molecular FormulaC8H16N2O2
Molecular Weight172.23 g/mol
Exact Mass172.12
IUPAC Namepiperidin-4-yl N-ethylcarbamate
SMILESCCNC(=O)OC1CCNCC1
InChIInChI=1S/C8H16N2O2/c1-2-10-8(11)12-7-3-5-9-6-4-7/h7,9H,2-6H2,1H3,(H,10,11)
InChIKeyJIYLLYLKTJCEEL-UHFFFAOYSA-N
XLogP0.48
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.23
LogP ≤ 50.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of piperidin-4-yl N-ethylcarbamate?
The IUPAC name of piperidin-4-yl N-ethylcarbamate (CID 20569908) is piperidin-4-yl N-ethylcarbamate.
What is the SMILES notation for piperidin-4-yl N-ethylcarbamate?
The canonical SMILES for piperidin-4-yl N-ethylcarbamate is CCNC(=O)OC1CCNCC1.
What is the InChIKey of piperidin-4-yl N-ethylcarbamate?
The InChIKey is JIYLLYLKTJCEEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2O2/c1-2-10-8(11)12-7-3-5-9-6-4-7/h7,9H,2-6H2,1H3,(H,10,11).
What are the key properties of piperidin-4-yl N-ethylcarbamate?
piperidin-4-yl N-ethylcarbamate has a molecular weight of 172.23 g/mol, XLogP of 0.48, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for piperidin-4-yl N-ethylcarbamate is sourced from PubChem (CID 20569908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).