1-(4-formylphenyl)piperidine-3-carboxylic acid

C13H15NO3 — CID 83972018

IUPAC1-(4-formylphenyl)piperidine-3-carboxylic acid
SMILESO=Cc1ccc(N2CCCC(C(=O)O)C2)cc1
InChIInChI=1S/C13H15NO3/c15-9-10-3-5-12(6-4-10)14-7-1-2-11(8-14)13(16)17/h3-6,9,11H,1-2,7-8H2,(H,16,17)
InChIKeyVCYBXAQMHSQTIK-UHFFFAOYSA-N
MW233.27 g/mol
LogP1.80
Rot. Bonds3

About 1-(4-formylphenyl)piperidine-3-carboxylic acid

1-(4-formylphenyl)piperidine-3-carboxylic acid (PubChem CID 83972018) has the molecular formula C13H15NO3 and a molecular weight of 233.27 g/mol. Its IUPAC name is 1-(4-formylphenyl)piperidine-3-carboxylic acid.

Molecular Properties

Compound Name1-(4-formylphenyl)piperidine-3-carboxylic acid
PubChem CID83972018
Molecular FormulaC13H15NO3
Molecular Weight233.27 g/mol
Exact Mass233.11
IUPAC Name1-(4-formylphenyl)piperidine-3-carboxylic acid
SMILESO=Cc1ccc(N2CCCC(C(=O)O)C2)cc1
InChIInChI=1S/C13H15NO3/c15-9-10-3-5-12(6-4-10)14-7-1-2-11(8-14)13(16)17/h3-6,9,11H,1-2,7-8H2,(H,16,17)
InChIKeyVCYBXAQMHSQTIK-UHFFFAOYSA-N
XLogP1.80
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.27
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-(1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-2-yl)benzaldehyde
CID 55166369
1-[4-(2-aminoacetyl)phenyl]piperidine-3-carboxylic acid
CID 83971736
(3R)-1-pyridin-3-ylpiperidine-3-carboxylic acid
CID 86332569
1-[4-(methylsulfanylmethyl)phenyl]piperidine-3-carboxylic acid
CID 83967234
(3R)-1-pyridazin-4-ylpiperidine-3-carboxylic acid
CID 124676115
[1-(4-formylphenyl)pyrrolidin-3-yl]carbamic acid
CID 87405577
1-(4-propan-2-ylsulfonylphenyl)piperidine-3-carboxylic acid
CID 45156917
4-(4-fluoroazepan-1-yl)benzaldehyde
CID 115032624
(3S)-1-(5-formylfuran-2-yl)piperidine-3-carboxylic acid
CID 39196870
1-[4-(prop-2-enylsulfanylmethyl)phenyl]piperidine-3-carboxylic acid
CID 83967233
1-(2-carboxyphenyl)piperidine-3-carboxylic acid
CID 82537818
1-(3,4-dimethoxyphenyl)piperidine-3-carboxylic acid
CID 82537806

Frequently Asked Questions

What is the IUPAC name of 1-(4-formylphenyl)piperidine-3-carboxylic acid?
The IUPAC name of 1-(4-formylphenyl)piperidine-3-carboxylic acid (CID 83972018) is 1-(4-formylphenyl)piperidine-3-carboxylic acid.
What is the SMILES notation for 1-(4-formylphenyl)piperidine-3-carboxylic acid?
The canonical SMILES for 1-(4-formylphenyl)piperidine-3-carboxylic acid is O=Cc1ccc(N2CCCC(C(=O)O)C2)cc1.
What is the InChIKey of 1-(4-formylphenyl)piperidine-3-carboxylic acid?
The InChIKey is VCYBXAQMHSQTIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO3/c15-9-10-3-5-12(6-4-10)14-7-1-2-11(8-14)13(16)17/h3-6,9,11H,1-2,7-8H2,(H,16,17).
What are the key properties of 1-(4-formylphenyl)piperidine-3-carboxylic acid?
1-(4-formylphenyl)piperidine-3-carboxylic acid has a molecular weight of 233.27 g/mol, XLogP of 1.80, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-formylphenyl)piperidine-3-carboxylic acid is sourced from PubChem (CID 83972018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).