piperidin-1-ium acetate

C7H15NO2 — CID 3014295

IUPACpiperidin-1-ium acetate
SMILESC1CC[NH2+]CC1.CC(=O)[O-]
InChIInChI=1S/C5H11N.C2H4O2/c1-2-4-6-5-3-1;1-2(3)4/h6H,1-5H2;1H3,(H,3,4)
InChIKeyRAIYODFGMLZUDF-UHFFFAOYSA-N
MW145.20 g/mol
LogP-1.51
Rot. Bonds

About piperidin-1-ium acetate

piperidin-1-ium acetate (PubChem CID 3014295) has the molecular formula C7H15NO2 and a molecular weight of 145.20 g/mol. Its IUPAC name is piperidin-1-ium acetate.

Molecular Properties

Compound Namepiperidin-1-ium acetate
PubChem CID3014295
Molecular FormulaC7H15NO2
Molecular Weight145.20 g/mol
Exact Mass145.11
IUPAC Namepiperidin-1-ium acetate
SMILESC1CC[NH2+]CC1.CC(=O)[O-]
InChIInChI=1S/C5H11N.C2H4O2/c1-2-4-6-5-3-1;1-2(3)4/h6H,1-5H2;1H3,(H,3,4)
InChIKeyRAIYODFGMLZUDF-UHFFFAOYSA-N
XLogP-1.51
TPSA56.74 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.20
LogP ≤ 5-1.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of piperidin-1-ium acetate?
The IUPAC name of piperidin-1-ium acetate (CID 3014295) is piperidin-1-ium acetate.
What is the SMILES notation for piperidin-1-ium acetate?
The canonical SMILES for piperidin-1-ium acetate is C1CC[NH2+]CC1.CC(=O)[O-].
What is the InChIKey of piperidin-1-ium acetate?
The InChIKey is RAIYODFGMLZUDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11N.C2H4O2/c1-2-4-6-5-3-1;1-2(3)4/h6H,1-5H2;1H3,(H,3,4).
What are the key properties of piperidin-1-ium acetate?
piperidin-1-ium acetate has a molecular weight of 145.20 g/mol, XLogP of -1.51, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for piperidin-1-ium acetate is sourced from PubChem (CID 3014295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).