methyl carbonate;1-methylpiperidin-1-ium

C8H17NO3 — CID 118112265

IUPACmethyl carbonate;1-methylpiperidin-1-ium
SMILESCOC(=O)[O-].C[NH+]1CCCCC1
InChIInChI=1S/C6H13N.C2H4O3/c1-7-5-3-2-4-6-7;1-5-2(3)4/h2-6H2,1H3;1H3,(H,3,4)
InChIKeyKKAFVYQZKAQDOX-UHFFFAOYSA-N
MW175.23 g/mol
LogP-1.34
Rot. Bonds

About methyl carbonate;1-methylpiperidin-1-ium

methyl carbonate;1-methylpiperidin-1-ium (PubChem CID 118112265) has the molecular formula C8H17NO3 and a molecular weight of 175.23 g/mol. Its IUPAC name is methyl carbonate;1-methylpiperidin-1-ium.

Molecular Properties

Compound Namemethyl carbonate;1-methylpiperidin-1-ium
PubChem CID118112265
Molecular FormulaC8H17NO3
Molecular Weight175.23 g/mol
Exact Mass175.12
IUPAC Namemethyl carbonate;1-methylpiperidin-1-ium
SMILESCOC(=O)[O-].C[NH+]1CCCCC1
InChIInChI=1S/C6H13N.C2H4O3/c1-7-5-3-2-4-6-7;1-5-2(3)4/h2-6H2,1H3;1H3,(H,3,4)
InChIKeyKKAFVYQZKAQDOX-UHFFFAOYSA-N
XLogP-1.34
TPSA53.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.23
LogP ≤ 5-1.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze methyl carbonate;1-methylpiperidin-1-ium 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 methyl carbonate;1-methylpiperidin-1-ium?
The IUPAC name of methyl carbonate;1-methylpiperidin-1-ium (CID 118112265) is methyl carbonate;1-methylpiperidin-1-ium.
What is the SMILES notation for methyl carbonate;1-methylpiperidin-1-ium?
The canonical SMILES for methyl carbonate;1-methylpiperidin-1-ium is COC(=O)[O-].C[NH+]1CCCCC1.
What is the InChIKey of methyl carbonate;1-methylpiperidin-1-ium?
The InChIKey is KKAFVYQZKAQDOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13N.C2H4O3/c1-7-5-3-2-4-6-7;1-5-2(3)4/h2-6H2,1H3;1H3,(H,3,4).
What are the key properties of methyl carbonate;1-methylpiperidin-1-ium?
methyl carbonate;1-methylpiperidin-1-ium has a molecular weight of 175.23 g/mol, XLogP of -1.34, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl carbonate;1-methylpiperidin-1-ium is sourced from PubChem (CID 118112265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).