4-(2-hydroxyethylidene)piperidine-1-carboxylic acid

C8H13NO3 — CID 23017957

IUPAC4-(2-hydroxyethylidene)piperidine-1-carboxylic acid
SMILESO=C(O)N1CCC(=CCO)CC1
InChIInChI=1S/C8H13NO3/c10-6-3-7-1-4-9(5-2-7)8(11)12/h3,10H,1-2,4-6H2,(H,11,12)
InChIKeyUMNRSPWGVLEGAO-UHFFFAOYSA-N
MW171.20 g/mol
LogP0.68
Rot. Bonds1

About 4-(2-hydroxyethylidene)piperidine-1-carboxylic acid

4-(2-hydroxyethylidene)piperidine-1-carboxylic acid (PubChem CID 23017957) has the molecular formula C8H13NO3 and a molecular weight of 171.20 g/mol. Its IUPAC name is 4-(2-hydroxyethylidene)piperidine-1-carboxylic acid.

Molecular Properties

Compound Name4-(2-hydroxyethylidene)piperidine-1-carboxylic acid
PubChem CID23017957
Molecular FormulaC8H13NO3
Molecular Weight171.20 g/mol
Exact Mass171.09
IUPAC Name4-(2-hydroxyethylidene)piperidine-1-carboxylic acid
SMILESO=C(O)N1CCC(=CCO)CC1
InChIInChI=1S/C8H13NO3/c10-6-3-7-1-4-9(5-2-7)8(11)12/h3,10H,1-2,4-6H2,(H,11,12)
InChIKeyUMNRSPWGVLEGAO-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-(2-hydroxyethylidene)piperidine-1-carboxylic acid?
The IUPAC name of 4-(2-hydroxyethylidene)piperidine-1-carboxylic acid (CID 23017957) is 4-(2-hydroxyethylidene)piperidine-1-carboxylic acid.
What is the SMILES notation for 4-(2-hydroxyethylidene)piperidine-1-carboxylic acid?
The canonical SMILES for 4-(2-hydroxyethylidene)piperidine-1-carboxylic acid is O=C(O)N1CCC(=CCO)CC1.
What is the InChIKey of 4-(2-hydroxyethylidene)piperidine-1-carboxylic acid?
The InChIKey is UMNRSPWGVLEGAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NO3/c10-6-3-7-1-4-9(5-2-7)8(11)12/h3,10H,1-2,4-6H2,(H,11,12).
What are the key properties of 4-(2-hydroxyethylidene)piperidine-1-carboxylic acid?
4-(2-hydroxyethylidene)piperidine-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-(2-hydroxyethylidene)piperidine-1-carboxylic acid is sourced from PubChem (CID 23017957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).