1-formylpiperidine-4-carboxylic acid

C7H11NO3 — CID 2759232

IUPAC1-formylpiperidine-4-carboxylic acid
SMILESO=CN1CCC(C(=O)O)CC1
InChIInChI=1S/C7H11NO3/c9-5-8-3-1-6(2-4-8)7(10)11/h5-6H,1-4H2,(H,10,11)
InChIKeyIZNTWTMLHCGAJU-UHFFFAOYSA-N
MW157.17 g/mol
LogP-0.06
Rot. Bonds2

About 1-formylpiperidine-4-carboxylic acid

1-formylpiperidine-4-carboxylic acid (PubChem CID 2759232) has the molecular formula C7H11NO3 and a molecular weight of 157.17 g/mol. Its IUPAC name is 1-formylpiperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-formylpiperidine-4-carboxylic acid
PubChem CID2759232
Molecular FormulaC7H11NO3
Molecular Weight157.17 g/mol
Exact Mass157.07
IUPAC Name1-formylpiperidine-4-carboxylic acid
SMILESO=CN1CCC(C(=O)O)CC1
InChIInChI=1S/C7H11NO3/c9-5-8-3-1-6(2-4-8)7(10)11/h5-6H,1-4H2,(H,10,11)
InChIKeyIZNTWTMLHCGAJU-UHFFFAOYSA-N
XLogP-0.06
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.17
LogP ≤ 5-0.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-carbamoylpiperidine-4-carboxylic Acid
CID 3875700
1-Acetylpiperidine-4-carboxylic acid
CID 117255
1-(Methoxycarbonyl)piperidine-4-carboxylic acid
CID 1490569
1-(Ethoxycarbonyl)-4-piperidinecarboxylic Acid
CID 6618886
1-Methylpiperidine-4-carboxylic acid
CID 2736939
1-Propionyl-4-piperidinecarboxylic acid
CID 685155
4-Piperidinecarboxylic acid, 1-methyl-, hydrochloride (1:1)
CID 2760043
1-(3-Methylbutanoyl)-4-piperidinecarboxylic acid
CID 16769238
1-(2-Methylpropanoyl)piperidine-4-carboxylic acid
CID 16770959
1-Acetyl-4-methylpiperidine-4-carboxylic acid
CID 19361808
1-Methyl-2-oxopiperidine-4-carboxylic acid
CID 22265446
1-[(2-Methylpropoxy)carbonyl]piperidine-4-carboxylic acid
CID 23297951

Frequently Asked Questions

What is the IUPAC name of 1-formylpiperidine-4-carboxylic acid?
The IUPAC name of 1-formylpiperidine-4-carboxylic acid (CID 2759232) is 1-formylpiperidine-4-carboxylic acid.
What is the SMILES notation for 1-formylpiperidine-4-carboxylic acid?
The canonical SMILES for 1-formylpiperidine-4-carboxylic acid is O=CN1CCC(C(=O)O)CC1.
What is the InChIKey of 1-formylpiperidine-4-carboxylic acid?
The InChIKey is IZNTWTMLHCGAJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11NO3/c9-5-8-3-1-6(2-4-8)7(10)11/h5-6H,1-4H2,(H,10,11).
What are the key properties of 1-formylpiperidine-4-carboxylic acid?
1-formylpiperidine-4-carboxylic acid has a molecular weight of 157.17 g/mol, XLogP of -0.06, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-formylpiperidine-4-carboxylic acid is sourced from PubChem (CID 2759232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).