3-hydroxy-4-naphthalen-1-yloxypiperidine-1-carbaldehyde

C16H17NO3 — CID 20548849

IUPAC3-hydroxy-4-naphthalen-1-yloxypiperidine-1-carbaldehyde
SMILESO=CN1CCC(Oc2cccc3ccccc23)C(O)C1
InChIInChI=1S/C16H17NO3/c18-11-17-9-8-16(14(19)10-17)20-15-7-3-5-12-4-1-2-6-13(12)15/h1-7,11,14,16,19H,8-10H2
InChIKeyOJDSQRHKFJORTI-UHFFFAOYSA-N
MW271.32 g/mol
LogP1.81
Rot. Bonds3

About 3-hydroxy-4-naphthalen-1-yloxypiperidine-1-carbaldehyde

3-hydroxy-4-naphthalen-1-yloxypiperidine-1-carbaldehyde (PubChem CID 20548849) has the molecular formula C16H17NO3 and a molecular weight of 271.32 g/mol. Its IUPAC name is 3-hydroxy-4-naphthalen-1-yloxypiperidine-1-carbaldehyde.

Molecular Properties

Compound Name3-hydroxy-4-naphthalen-1-yloxypiperidine-1-carbaldehyde
PubChem CID20548849
Molecular FormulaC16H17NO3
Molecular Weight271.32 g/mol
Exact Mass271.12
IUPAC Name3-hydroxy-4-naphthalen-1-yloxypiperidine-1-carbaldehyde
SMILESO=CN1CCC(Oc2cccc3ccccc23)C(O)C1
InChIInChI=1S/C16H17NO3/c18-11-17-9-8-16(14(19)10-17)20-15-7-3-5-12-4-1-2-6-13(12)15/h1-7,11,14,16,19H,8-10H2
InChIKeyOJDSQRHKFJORTI-UHFFFAOYSA-N
XLogP1.81
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3-hydroxy-4-naphthalen-1-yloxypiperidine-1-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 3-hydroxy-4-naphthalen-1-yloxypiperidine-1-carbaldehyde?
The IUPAC name of 3-hydroxy-4-naphthalen-1-yloxypiperidine-1-carbaldehyde (CID 20548849) is 3-hydroxy-4-naphthalen-1-yloxypiperidine-1-carbaldehyde.
What is the SMILES notation for 3-hydroxy-4-naphthalen-1-yloxypiperidine-1-carbaldehyde?
The canonical SMILES for 3-hydroxy-4-naphthalen-1-yloxypiperidine-1-carbaldehyde is O=CN1CCC(Oc2cccc3ccccc23)C(O)C1.
What is the InChIKey of 3-hydroxy-4-naphthalen-1-yloxypiperidine-1-carbaldehyde?
The InChIKey is OJDSQRHKFJORTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO3/c18-11-17-9-8-16(14(19)10-17)20-15-7-3-5-12-4-1-2-6-13(12)15/h1-7,11,14,16,19H,8-10H2.
What are the key properties of 3-hydroxy-4-naphthalen-1-yloxypiperidine-1-carbaldehyde?
3-hydroxy-4-naphthalen-1-yloxypiperidine-1-carbaldehyde has a molecular weight of 271.32 g/mol, XLogP of 1.81, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-4-naphthalen-1-yloxypiperidine-1-carbaldehyde is sourced from PubChem (CID 20548849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).