1-(4-hydroxyphenyl)piperidine-2-carbaldehyde

C12H15NO2 — CID 175249776

IUPAC1-(4-hydroxyphenyl)piperidine-2-carbaldehyde
SMILESO=CC1CCCCN1c1ccc(O)cc1
InChIInChI=1S/C12H15NO2/c14-9-11-3-1-2-8-13(11)10-4-6-12(15)7-5-10/h4-7,9,11,15H,1-3,8H2
InChIKeyINQIOMHBQNZLCG-UHFFFAOYSA-N
MW205.26 g/mol
LogP1.95
Rot. Bonds2

About 1-(4-hydroxyphenyl)piperidine-2-carbaldehyde

1-(4-hydroxyphenyl)piperidine-2-carbaldehyde (PubChem CID 175249776) has the molecular formula C12H15NO2 and a molecular weight of 205.26 g/mol. Its IUPAC name is 1-(4-hydroxyphenyl)piperidine-2-carbaldehyde.

Molecular Properties

Compound Name1-(4-hydroxyphenyl)piperidine-2-carbaldehyde
PubChem CID175249776
Molecular FormulaC12H15NO2
Molecular Weight205.26 g/mol
Exact Mass205.11
IUPAC Name1-(4-hydroxyphenyl)piperidine-2-carbaldehyde
SMILESO=CC1CCCCN1c1ccc(O)cc1
InChIInChI=1S/C12H15NO2/c14-9-11-3-1-2-8-13(11)10-4-6-12(15)7-5-10/h4-7,9,11,15H,1-3,8H2
InChIKeyINQIOMHBQNZLCG-UHFFFAOYSA-N
XLogP1.95
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.26
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-(4-hydroxyphenyl)piperidine-2-carbaldehyde with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(4-hydroxyphenyl)piperidine-2-carbaldehyde?
The IUPAC name of 1-(4-hydroxyphenyl)piperidine-2-carbaldehyde (CID 175249776) is 1-(4-hydroxyphenyl)piperidine-2-carbaldehyde.
What is the SMILES notation for 1-(4-hydroxyphenyl)piperidine-2-carbaldehyde?
The canonical SMILES for 1-(4-hydroxyphenyl)piperidine-2-carbaldehyde is O=CC1CCCCN1c1ccc(O)cc1.
What is the InChIKey of 1-(4-hydroxyphenyl)piperidine-2-carbaldehyde?
The InChIKey is INQIOMHBQNZLCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO2/c14-9-11-3-1-2-8-13(11)10-4-6-12(15)7-5-10/h4-7,9,11,15H,1-3,8H2.
What are the key properties of 1-(4-hydroxyphenyl)piperidine-2-carbaldehyde?
1-(4-hydroxyphenyl)piperidine-2-carbaldehyde has a molecular weight of 205.26 g/mol, XLogP of 1.95, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-hydroxyphenyl)piperidine-2-carbaldehyde is sourced from PubChem (CID 175249776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).