2-piperidin-1-ium-1-ylacetic acid

C7H14NO2+ — CID 3677697

IUPAC2-piperidin-1-ium-1-ylacetic acid
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)/p+1
InChIKeyVRDBIJCCXDEZJN-UHFFFAOYSA-O
MW144.19 g/mol
LogP-0.86
Rot. Bonds2

About 2-piperidin-1-ium-1-ylacetic acid

2-piperidin-1-ium-1-ylacetic acid (PubChem CID 3677697) has the molecular formula C7H14NO2+ and a molecular weight of 144.19 g/mol. Its IUPAC name is 2-piperidin-1-ium-1-ylacetic acid.

Molecular Properties

Compound Name2-piperidin-1-ium-1-ylacetic acid
PubChem CID3677697
Molecular FormulaC7H14NO2+
Molecular Weight144.19 g/mol
Exact Mass144.10
IUPAC Name2-piperidin-1-ium-1-ylacetic acid
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)/p+1
InChIKeyVRDBIJCCXDEZJN-UHFFFAOYSA-O
XLogP-0.86
TPSA41.74 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.19
LogP ≤ 5-0.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-piperidin-1-ium-1-ylacetic acid?
The IUPAC name of 2-piperidin-1-ium-1-ylacetic acid (CID 3677697) is 2-piperidin-1-ium-1-ylacetic acid.
What is the SMILES notation for 2-piperidin-1-ium-1-ylacetic acid?
The canonical SMILES for 2-piperidin-1-ium-1-ylacetic acid is O=C(O)C[NH+]1CCCCC1.
What is the InChIKey of 2-piperidin-1-ium-1-ylacetic acid?
The InChIKey is VRDBIJCCXDEZJN-UHFFFAOYSA-O. The full InChI is InChI=1S/C7H13NO2/c9-7(10)6-8-4-2-1-3-5-8/h1-6H2,(H,9,10)/p+1.
What are the key properties of 2-piperidin-1-ium-1-ylacetic acid?
2-piperidin-1-ium-1-ylacetic acid has a molecular weight of 144.19 g/mol, XLogP of -0.86, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-piperidin-1-ium-1-ylacetic acid is sourced from PubChem (CID 3677697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).