4-hydroxypiperidin-1-ium-4-carboxylate

C6H11NO3 — CID 40521320

IUPAC4-hydroxypiperidin-1-ium-4-carboxylate
SMILESO=C([O-])C1(O)CC[NH2+]CC1
InChIInChI=1S/C6H11NO3/c8-5(9)6(10)1-3-7-4-2-6/h7,10H,1-4H2,(H,8,9)
InChIKeyFKKPSFIMIQSISK-UHFFFAOYSA-N
MW145.16 g/mol
LogP-3.18
Rot. Bonds1

About 4-hydroxypiperidin-1-ium-4-carboxylate

4-hydroxypiperidin-1-ium-4-carboxylate (PubChem CID 40521320) has the molecular formula C6H11NO3 and a molecular weight of 145.16 g/mol. Its IUPAC name is 4-hydroxypiperidin-1-ium-4-carboxylate.

Molecular Properties

Compound Name4-hydroxypiperidin-1-ium-4-carboxylate
PubChem CID40521320
Molecular FormulaC6H11NO3
Molecular Weight145.16 g/mol
Exact Mass145.07
IUPAC Name4-hydroxypiperidin-1-ium-4-carboxylate
SMILESO=C([O-])C1(O)CC[NH2+]CC1
InChIInChI=1S/C6H11NO3/c8-5(9)6(10)1-3-7-4-2-6/h7,10H,1-4H2,(H,8,9)
InChIKeyFKKPSFIMIQSISK-UHFFFAOYSA-N
XLogP-3.18
TPSA76.97 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.16
LogP ≤ 5-3.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-hydroxypiperidin-1-ium-4-carboxylate?
The IUPAC name of 4-hydroxypiperidin-1-ium-4-carboxylate (CID 40521320) is 4-hydroxypiperidin-1-ium-4-carboxylate.
What is the SMILES notation for 4-hydroxypiperidin-1-ium-4-carboxylate?
The canonical SMILES for 4-hydroxypiperidin-1-ium-4-carboxylate is O=C([O-])C1(O)CC[NH2+]CC1.
What is the InChIKey of 4-hydroxypiperidin-1-ium-4-carboxylate?
The InChIKey is FKKPSFIMIQSISK-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11NO3/c8-5(9)6(10)1-3-7-4-2-6/h7,10H,1-4H2,(H,8,9).
What are the key properties of 4-hydroxypiperidin-1-ium-4-carboxylate?
4-hydroxypiperidin-1-ium-4-carboxylate has a molecular weight of 145.16 g/mol, XLogP of -3.18, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxypiperidin-1-ium-4-carboxylate is sourced from PubChem (CID 40521320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).