1,4-dimethylpiperidin-1-ium acetate

C9H19NO2 — CID 171571509

IUPAC1,4-dimethylpiperidin-1-ium acetate
SMILESCC(=O)[O-].CC1CC[NH+](C)CC1
InChIInChI=1S/C7H15N.C2H4O2/c1-7-3-5-8(2)6-4-7;1-2(3)4/h7H,3-6H2,1-2H3;1H3,(H,3,4)
InChIKeyITNWMNXQKPTJFE-UHFFFAOYSA-N
MW173.26 g/mol
LogP-1.31
Rot. Bonds

About 1,4-dimethylpiperidin-1-ium acetate

1,4-dimethylpiperidin-1-ium acetate (PubChem CID 171571509) has the molecular formula C9H19NO2 and a molecular weight of 173.26 g/mol. Its IUPAC name is 1,4-dimethylpiperidin-1-ium acetate.

Molecular Properties

Compound Name1,4-dimethylpiperidin-1-ium acetate
PubChem CID171571509
Molecular FormulaC9H19NO2
Molecular Weight173.26 g/mol
Exact Mass173.14
IUPAC Name1,4-dimethylpiperidin-1-ium acetate
SMILESCC(=O)[O-].CC1CC[NH+](C)CC1
InChIInChI=1S/C7H15N.C2H4O2/c1-7-3-5-8(2)6-4-7;1-2(3)4/h7H,3-6H2,1-2H3;1H3,(H,3,4)
InChIKeyITNWMNXQKPTJFE-UHFFFAOYSA-N
XLogP-1.31
TPSA44.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.26
LogP ≤ 5-1.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,4-dimethylpiperidin-1-ium acetate?
The IUPAC name of 1,4-dimethylpiperidin-1-ium acetate (CID 171571509) is 1,4-dimethylpiperidin-1-ium acetate.
What is the SMILES notation for 1,4-dimethylpiperidin-1-ium acetate?
The canonical SMILES for 1,4-dimethylpiperidin-1-ium acetate is CC(=O)[O-].CC1CC[NH+](C)CC1.
What is the InChIKey of 1,4-dimethylpiperidin-1-ium acetate?
The InChIKey is ITNWMNXQKPTJFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15N.C2H4O2/c1-7-3-5-8(2)6-4-7;1-2(3)4/h7H,3-6H2,1-2H3;1H3,(H,3,4).
What are the key properties of 1,4-dimethylpiperidin-1-ium acetate?
1,4-dimethylpiperidin-1-ium acetate has a molecular weight of 173.26 g/mol, XLogP of -1.31, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-dimethylpiperidin-1-ium acetate is sourced from PubChem (CID 171571509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).