2-(4-methylpiperidin-1-ium-1-yl)acetate

C8H15NO2 — CID 7174689

IUPAC2-(4-methylpiperidin-1-ium-1-yl)acetate
SMILESCC1CC[NH+](CC(=O)[O-])CC1
InChIInChI=1S/C8H15NO2/c1-7-2-4-9(5-3-7)6-8(10)11/h7H,2-6H2,1H3,(H,10,11)
InChIKeyAVZSMACEWPTTTE-UHFFFAOYSA-N
MW157.21 g/mol
LogP-1.95
Rot. Bonds2

About 2-(4-methylpiperidin-1-ium-1-yl)acetate

2-(4-methylpiperidin-1-ium-1-yl)acetate (PubChem CID 7174689) has the molecular formula C8H15NO2 and a molecular weight of 157.21 g/mol. Its IUPAC name is 2-(4-methylpiperidin-1-ium-1-yl)acetate.

Molecular Properties

Compound Name2-(4-methylpiperidin-1-ium-1-yl)acetate
PubChem CID7174689
Molecular FormulaC8H15NO2
Molecular Weight157.21 g/mol
Exact Mass157.11
IUPAC Name2-(4-methylpiperidin-1-ium-1-yl)acetate
SMILESCC1CC[NH+](CC(=O)[O-])CC1
InChIInChI=1S/C8H15NO2/c1-7-2-4-9(5-3-7)6-8(10)11/h7H,2-6H2,1H3,(H,10,11)
InChIKeyAVZSMACEWPTTTE-UHFFFAOYSA-N
XLogP-1.95
TPSA44.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.21
LogP ≤ 5-1.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(4-methylpiperidin-1-ium-1-yl)acetate?
The IUPAC name of 2-(4-methylpiperidin-1-ium-1-yl)acetate (CID 7174689) is 2-(4-methylpiperidin-1-ium-1-yl)acetate.
What is the SMILES notation for 2-(4-methylpiperidin-1-ium-1-yl)acetate?
The canonical SMILES for 2-(4-methylpiperidin-1-ium-1-yl)acetate is CC1CC[NH+](CC(=O)[O-])CC1.
What is the InChIKey of 2-(4-methylpiperidin-1-ium-1-yl)acetate?
The InChIKey is AVZSMACEWPTTTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO2/c1-7-2-4-9(5-3-7)6-8(10)11/h7H,2-6H2,1H3,(H,10,11).
What are the key properties of 2-(4-methylpiperidin-1-ium-1-yl)acetate?
2-(4-methylpiperidin-1-ium-1-yl)acetate has a molecular weight of 157.21 g/mol, XLogP of -1.95, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylpiperidin-1-ium-1-yl)acetate is sourced from PubChem (CID 7174689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).