4-ethenyl-4-hydroxypiperidine-1-carboxylic acid

C8H13NO3 — CID 22640399

IUPAC4-ethenyl-4-hydroxypiperidine-1-carboxylic acid
SMILESC=CC1(O)CCN(C(=O)O)CC1
InChIInChI=1S/C8H13NO3/c1-2-8(12)3-5-9(6-4-8)7(10)11/h2,12H,1,3-6H2,(H,10,11)
InChIKeyNFTNCIPPEYAHMC-UHFFFAOYSA-N
MW171.20 g/mol
LogP0.68
Rot. Bonds1

About 4-ethenyl-4-hydroxypiperidine-1-carboxylic acid

4-ethenyl-4-hydroxypiperidine-1-carboxylic acid (PubChem CID 22640399) has the molecular formula C8H13NO3 and a molecular weight of 171.20 g/mol. Its IUPAC name is 4-ethenyl-4-hydroxypiperidine-1-carboxylic acid.

Molecular Properties

Compound Name4-ethenyl-4-hydroxypiperidine-1-carboxylic acid
PubChem CID22640399
Molecular FormulaC8H13NO3
Molecular Weight171.20 g/mol
Exact Mass171.09
IUPAC Name4-ethenyl-4-hydroxypiperidine-1-carboxylic acid
SMILESC=CC1(O)CCN(C(=O)O)CC1
InChIInChI=1S/C8H13NO3/c1-2-8(12)3-5-9(6-4-8)7(10)11/h2,12H,1,3-6H2,(H,10,11)
InChIKeyNFTNCIPPEYAHMC-UHFFFAOYSA-N
XLogP0.68
TPSA60.77 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.20
LogP ≤ 50.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-ethenyl-4-hydroxypiperidine-1-carboxylic acid?
The IUPAC name of 4-ethenyl-4-hydroxypiperidine-1-carboxylic acid (CID 22640399) is 4-ethenyl-4-hydroxypiperidine-1-carboxylic acid.
What is the SMILES notation for 4-ethenyl-4-hydroxypiperidine-1-carboxylic acid?
The canonical SMILES for 4-ethenyl-4-hydroxypiperidine-1-carboxylic acid is C=CC1(O)CCN(C(=O)O)CC1.
What is the InChIKey of 4-ethenyl-4-hydroxypiperidine-1-carboxylic acid?
The InChIKey is NFTNCIPPEYAHMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NO3/c1-2-8(12)3-5-9(6-4-8)7(10)11/h2,12H,1,3-6H2,(H,10,11).
What are the key properties of 4-ethenyl-4-hydroxypiperidine-1-carboxylic acid?
4-ethenyl-4-hydroxypiperidine-1-carboxylic acid has a molecular weight of 171.20 g/mol, XLogP of 0.68, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethenyl-4-hydroxypiperidine-1-carboxylic acid is sourced from PubChem (CID 22640399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).