potassium 2-(1,2-dimethylpiperidin-4-yl)acetate

C9H16KNO2 — CID 161456905

IUPACpotassium 2-(1,2-dimethylpiperidin-4-yl)acetate
SMILESCC1CC(CC(=O)[O-])CCN1C.[K+]
InChIInChI=1S/C9H17NO2.K/c1-7-5-8(6-9(11)12)3-4-10(7)2;/h7-8H,3-6H2,1-2H3,(H,11,12);/q;+1/p-1
InChIKeyWBGSLEUZLJPAEF-UHFFFAOYSA-M
MW209.33 g/mol
LogP-3.14
Rot. Bonds2

About potassium 2-(1,2-dimethylpiperidin-4-yl)acetate

potassium 2-(1,2-dimethylpiperidin-4-yl)acetate (PubChem CID 161456905) has the molecular formula C9H16KNO2 and a molecular weight of 209.33 g/mol. Its IUPAC name is potassium 2-(1,2-dimethylpiperidin-4-yl)acetate.

Molecular Properties

Compound Namepotassium 2-(1,2-dimethylpiperidin-4-yl)acetate
PubChem CID161456905
Molecular FormulaC9H16KNO2
Molecular Weight209.33 g/mol
Exact Mass209.08
IUPAC Namepotassium 2-(1,2-dimethylpiperidin-4-yl)acetate
SMILESCC1CC(CC(=O)[O-])CCN1C.[K+]
InChIInChI=1S/C9H17NO2.K/c1-7-5-8(6-9(11)12)3-4-10(7)2;/h7-8H,3-6H2,1-2H3,(H,11,12);/q;+1/p-1
InChIKeyWBGSLEUZLJPAEF-UHFFFAOYSA-M
XLogP-3.14
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.33
LogP ≤ 5-3.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of potassium 2-(1,2-dimethylpiperidin-4-yl)acetate?
The IUPAC name of potassium 2-(1,2-dimethylpiperidin-4-yl)acetate (CID 161456905) is potassium 2-(1,2-dimethylpiperidin-4-yl)acetate.
What is the SMILES notation for potassium 2-(1,2-dimethylpiperidin-4-yl)acetate?
The canonical SMILES for potassium 2-(1,2-dimethylpiperidin-4-yl)acetate is CC1CC(CC(=O)[O-])CCN1C.[K+].
What is the InChIKey of potassium 2-(1,2-dimethylpiperidin-4-yl)acetate?
The InChIKey is WBGSLEUZLJPAEF-UHFFFAOYSA-M. The full InChI is InChI=1S/C9H17NO2.K/c1-7-5-8(6-9(11)12)3-4-10(7)2;/h7-8H,3-6H2,1-2H3,(H,11,12);/q;+1/p-1.
What are the key properties of potassium 2-(1,2-dimethylpiperidin-4-yl)acetate?
potassium 2-(1,2-dimethylpiperidin-4-yl)acetate has a molecular weight of 209.33 g/mol, XLogP of -3.14, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for potassium 2-(1,2-dimethylpiperidin-4-yl)acetate is sourced from PubChem (CID 161456905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).