(4-formyl-3-hydroxyphenyl) piperidine-1-carboxylate

C13H15NO4 — CID 118041589

IUPAC(4-formyl-3-hydroxyphenyl) piperidine-1-carboxylate
SMILESO=Cc1ccc(OC(=O)N2CCCCC2)cc1O
InChIInChI=1S/C13H15NO4/c15-9-10-4-5-11(8-12(10)16)18-13(17)14-6-2-1-3-7-14/h4-5,8-9,16H,1-3,6-7H2
InChIKeyPZNFEJMCLVAGSX-UHFFFAOYSA-N
MW249.27 g/mol
LogP2.19
Rot. Bonds2

About (4-formyl-3-hydroxyphenyl) piperidine-1-carboxylate

(4-formyl-3-hydroxyphenyl) piperidine-1-carboxylate (PubChem CID 118041589) has the molecular formula C13H15NO4 and a molecular weight of 249.27 g/mol. Its IUPAC name is (4-formyl-3-hydroxyphenyl) piperidine-1-carboxylate.

Molecular Properties

Compound Name(4-formyl-3-hydroxyphenyl) piperidine-1-carboxylate
PubChem CID118041589
Molecular FormulaC13H15NO4
Molecular Weight249.27 g/mol
Exact Mass249.10
IUPAC Name(4-formyl-3-hydroxyphenyl) piperidine-1-carboxylate
SMILESO=Cc1ccc(OC(=O)N2CCCCC2)cc1O
InChIInChI=1S/C13H15NO4/c15-9-10-4-5-11(8-12(10)16)18-13(17)14-6-2-1-3-7-14/h4-5,8-9,16H,1-3,6-7H2
InChIKeyPZNFEJMCLVAGSX-UHFFFAOYSA-N
XLogP2.19
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.27
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (4-formyl-3-hydroxyphenyl) piperidine-1-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

acetic acid;(4-formyl-3-hydroxyphenyl) acetate
CID 87581863
(4-fluorophenyl) piperidine-1-carboxylate
CID 895621
(2-methylquinolin-6-yl) pyrrolidine-1-carboxylate
CID 59825519
[8-(piperidine-1-carbonyloxy)naphthalen-2-yl] piperidine-1-carboxylate
CID 23766816
[3-hydroxy-4-[(E)-3-(4-piperidin-1-ylphenyl)prop-2-enoyl]phenyl] pyrrolidine-1-carboxylate
CID 134130716
(6-bromonaphthalen-2-yl) pyrrolidine-1-carboxylate
CID 971360
1H-indol-5-yl piperidine-1-carboxylate
CID 175932664
[3-hydroxy-4-[(E)-3-oxo-3-piperidin-1-ylprop-1-enyl]phenyl] N-tert-butylcarbamate
CID 134471791
(4-phenoxyphenyl) pyrrolidine-1-carboxylate
CID 54080617
pyridazin-4-yl piperidine-1-carboxylate
CID 175189691
4-[[(1R,9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methoxy]-2-hydroxybenzaldehyde
CID 11917394
[3-[(2-methylpropan-2-yl)oxycarbonyl]phenyl] pyrrolidine-1-carboxylate
CID 123814267

Frequently Asked Questions

What is the IUPAC name of (4-formyl-3-hydroxyphenyl) piperidine-1-carboxylate?
The IUPAC name of (4-formyl-3-hydroxyphenyl) piperidine-1-carboxylate (CID 118041589) is (4-formyl-3-hydroxyphenyl) piperidine-1-carboxylate.
What is the SMILES notation for (4-formyl-3-hydroxyphenyl) piperidine-1-carboxylate?
The canonical SMILES for (4-formyl-3-hydroxyphenyl) piperidine-1-carboxylate is O=Cc1ccc(OC(=O)N2CCCCC2)cc1O.
What is the InChIKey of (4-formyl-3-hydroxyphenyl) piperidine-1-carboxylate?
The InChIKey is PZNFEJMCLVAGSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO4/c15-9-10-4-5-11(8-12(10)16)18-13(17)14-6-2-1-3-7-14/h4-5,8-9,16H,1-3,6-7H2.
What are the key properties of (4-formyl-3-hydroxyphenyl) piperidine-1-carboxylate?
(4-formyl-3-hydroxyphenyl) piperidine-1-carboxylate has a molecular weight of 249.27 g/mol, XLogP of 2.19, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-formyl-3-hydroxyphenyl) piperidine-1-carboxylate is sourced from PubChem (CID 118041589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).