4-methoxy-1-methylpiperidin-1-ium

C7H16NO+ — CID 22082856

IUPAC4-methoxy-1-methylpiperidin-1-ium
SMILESCOC1CC[NH+](C)CC1
InChIInChI=1S/C7H15NO/c1-8-5-3-7(9-2)4-6-8/h7H,3-6H2,1-2H3/p+1
InChIKeyYZMIRCBSCFJIFB-UHFFFAOYSA-O
MW130.21 g/mol
LogP-0.69
Rot. Bonds1

About 4-methoxy-1-methylpiperidin-1-ium

4-methoxy-1-methylpiperidin-1-ium (PubChem CID 22082856) has the molecular formula C7H16NO+ and a molecular weight of 130.21 g/mol. Its IUPAC name is 4-methoxy-1-methylpiperidin-1-ium.

Molecular Properties

Compound Name4-methoxy-1-methylpiperidin-1-ium
PubChem CID22082856
Molecular FormulaC7H16NO+
Molecular Weight130.21 g/mol
Exact Mass130.12
IUPAC Name4-methoxy-1-methylpiperidin-1-ium
SMILESCOC1CC[NH+](C)CC1
InChIInChI=1S/C7H15NO/c1-8-5-3-7(9-2)4-6-8/h7H,3-6H2,1-2H3/p+1
InChIKeyYZMIRCBSCFJIFB-UHFFFAOYSA-O
XLogP-0.69
TPSA13.67 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500130.21
LogP ≤ 5-0.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-methoxy-1-methylpiperidin-1-ium?
The IUPAC name of 4-methoxy-1-methylpiperidin-1-ium (CID 22082856) is 4-methoxy-1-methylpiperidin-1-ium.
What is the SMILES notation for 4-methoxy-1-methylpiperidin-1-ium?
The canonical SMILES for 4-methoxy-1-methylpiperidin-1-ium is COC1CC[NH+](C)CC1.
What is the InChIKey of 4-methoxy-1-methylpiperidin-1-ium?
The InChIKey is YZMIRCBSCFJIFB-UHFFFAOYSA-O. The full InChI is InChI=1S/C7H15NO/c1-8-5-3-7(9-2)4-6-8/h7H,3-6H2,1-2H3/p+1.
What are the key properties of 4-methoxy-1-methylpiperidin-1-ium?
4-methoxy-1-methylpiperidin-1-ium has a molecular weight of 130.21 g/mol, XLogP of -0.69, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-1-methylpiperidin-1-ium is sourced from PubChem (CID 22082856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).