2-piperidin-1-ium-1-ylacetate

C7H13NO2 — CID 5249621

IUPAC2-piperidin-1-ium-1-ylacetate
SMILESO=C([O-])C[NH+]1CCCCC1
InChIInChI=1S/C7H13NO2/c9-7(10)6-8-4-2-1-3-5-8/h1-6H2,(H,9,10)
InChIKeyVRDBIJCCXDEZJN-UHFFFAOYSA-N
MW143.19 g/mol
LogP-2.19
Rot. Bonds2

About 2-piperidin-1-ium-1-ylacetate

2-piperidin-1-ium-1-ylacetate (PubChem CID 5249621) has the molecular formula C7H13NO2 and a molecular weight of 143.19 g/mol. Its IUPAC name is 2-piperidin-1-ium-1-ylacetate.

Molecular Properties

Compound Name2-piperidin-1-ium-1-ylacetate
PubChem CID5249621
Molecular FormulaC7H13NO2
Molecular Weight143.19 g/mol
Exact Mass143.09
IUPAC Name2-piperidin-1-ium-1-ylacetate
SMILESO=C([O-])C[NH+]1CCCCC1
InChIInChI=1S/C7H13NO2/c9-7(10)6-8-4-2-1-3-5-8/h1-6H2,(H,9,10)
InChIKeyVRDBIJCCXDEZJN-UHFFFAOYSA-N
XLogP-2.19
TPSA44.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.19
LogP ≤ 5-2.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

Piperidinium acetate
CID 3014295
(4-Aminopiperidin-1-yl)acetic acid
CID 16765334
N-Piperidin-4-ylglycine
CID 18757250
1-Piperidineacetate sodium salt
CID 129855683
1-(Carboxymethyl)piperidinium
CID 3677697
2-Piperidin-1-ium-1-ylacetic acid chloride
CID 44660774
2-[(2S,6R)-2,6-dimethylpiperidin-1-ium-1-yl]acetate
CID 6994007
2-(4-Oxopiperidin-1-ium-1-yl)acetate
CID 7016486
2-(4-Methylpiperidin-1-ium-1-yl)acetate
CID 7174689
Piperidineacetate
CID 18315696
2-(Butylazaniumyl)acetate
CID 20738922
2-[(1-Methylpiperidin-1-ium-4-yl)amino]acetate
CID 28305677

Frequently Asked Questions

What is the IUPAC name of 2-piperidin-1-ium-1-ylacetate?
The IUPAC name of 2-piperidin-1-ium-1-ylacetate (CID 5249621) is 2-piperidin-1-ium-1-ylacetate.
What is the SMILES notation for 2-piperidin-1-ium-1-ylacetate?
The canonical SMILES for 2-piperidin-1-ium-1-ylacetate is O=C([O-])C[NH+]1CCCCC1.
What is the InChIKey of 2-piperidin-1-ium-1-ylacetate?
The InChIKey is VRDBIJCCXDEZJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO2/c9-7(10)6-8-4-2-1-3-5-8/h1-6H2,(H,9,10).
What are the key properties of 2-piperidin-1-ium-1-ylacetate?
2-piperidin-1-ium-1-ylacetate has a molecular weight of 143.19 g/mol, XLogP of -2.19, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-piperidin-1-ium-1-ylacetate is sourced from PubChem (CID 5249621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).