piperidin-1-ium-4-yl N-ethylcarbamate

C8H17N2O2+ — CID 86328799

IUPACpiperidin-1-ium-4-yl N-ethylcarbamate
SMILESCCNC(=O)OC1CC[NH2+]CC1
InChIInChI=1S/C8H16N2O2/c1-2-10-8(11)12-7-3-5-9-6-4-7/h7,9H,2-6H2,1H3,(H,10,11)/p+1
InChIKeyJIYLLYLKTJCEEL-UHFFFAOYSA-O
MW173.24 g/mol
LogP-0.54
Rot. Bonds2

About piperidin-1-ium-4-yl N-ethylcarbamate

piperidin-1-ium-4-yl N-ethylcarbamate (PubChem CID 86328799) has the molecular formula C8H17N2O2+ and a molecular weight of 173.24 g/mol. Its IUPAC name is piperidin-1-ium-4-yl N-ethylcarbamate.

Molecular Properties

Compound Namepiperidin-1-ium-4-yl N-ethylcarbamate
PubChem CID86328799
Molecular FormulaC8H17N2O2+
Molecular Weight173.24 g/mol
Exact Mass173.13
IUPAC Namepiperidin-1-ium-4-yl N-ethylcarbamate
SMILESCCNC(=O)OC1CC[NH2+]CC1
InChIInChI=1S/C8H16N2O2/c1-2-10-8(11)12-7-3-5-9-6-4-7/h7,9H,2-6H2,1H3,(H,10,11)/p+1
InChIKeyJIYLLYLKTJCEEL-UHFFFAOYSA-O
XLogP-0.54
TPSA54.94 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.24
LogP ≤ 5-0.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of piperidin-1-ium-4-yl N-ethylcarbamate?
The IUPAC name of piperidin-1-ium-4-yl N-ethylcarbamate (CID 86328799) is piperidin-1-ium-4-yl N-ethylcarbamate.
What is the SMILES notation for piperidin-1-ium-4-yl N-ethylcarbamate?
The canonical SMILES for piperidin-1-ium-4-yl N-ethylcarbamate is CCNC(=O)OC1CC[NH2+]CC1.
What is the InChIKey of piperidin-1-ium-4-yl N-ethylcarbamate?
The InChIKey is JIYLLYLKTJCEEL-UHFFFAOYSA-O. 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)/p+1.
What are the key properties of piperidin-1-ium-4-yl N-ethylcarbamate?
piperidin-1-ium-4-yl N-ethylcarbamate has a molecular weight of 173.24 g/mol, XLogP of -0.54, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for piperidin-1-ium-4-yl N-ethylcarbamate is sourced from PubChem (CID 86328799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).