2-hydroxy-6-[[(2S)-1-(2-methylpyridine-3-carbonyl)piperidin-2-yl]methoxy]benzaldehyde

C20H22N2O4 — CID 86295710

IUPAC2-hydroxy-6-[[(2S)-1-(2-methylpyridine-3-carbonyl)piperidin-2-yl]methoxy]benzaldehyde
SMILESCc1ncccc1C(=O)N1CCCC[C@H]1COc1cccc(O)c1C=O
InChIInChI=1S/C20H22N2O4/c1-14-16(7-5-10-21-14)20(25)22-11-3-2-6-15(22)13-26-19-9-4-8-18(24)17(19)12-23/h4-5,7-10,12,15,24H,2-3,6,11,13H2,1H3/t15-/m0/s1
InChIKeyJLFHXNINERBPLZ-HNNXBMFYSA-N
MW354.41 g/mol
LogP2.98
Rot. Bonds5

About 2-hydroxy-6-[[(2S)-1-(2-methylpyridine-3-carbonyl)piperidin-2-yl]methoxy]benzaldehyde

2-hydroxy-6-[[(2S)-1-(2-methylpyridine-3-carbonyl)piperidin-2-yl]methoxy]benzaldehyde (PubChem CID 86295710) has the molecular formula C20H22N2O4 and a molecular weight of 354.41 g/mol. Its IUPAC name is 2-hydroxy-6-[[(2S)-1-(2-methylpyridine-3-carbonyl)piperidin-2-yl]methoxy]benzaldehyde.

Molecular Properties

Compound Name2-hydroxy-6-[[(2S)-1-(2-methylpyridine-3-carbonyl)piperidin-2-yl]methoxy]benzaldehyde
PubChem CID86295710
Molecular FormulaC20H22N2O4
Molecular Weight354.41 g/mol
Exact Mass354.16
IUPAC Name2-hydroxy-6-[[(2S)-1-(2-methylpyridine-3-carbonyl)piperidin-2-yl]methoxy]benzaldehyde
SMILESCc1ncccc1C(=O)N1CCCC[C@H]1COc1cccc(O)c1C=O
InChIInChI=1S/C20H22N2O4/c1-14-16(7-5-10-21-14)20(25)22-11-3-2-6-15(22)13-26-19-9-4-8-18(24)17(19)12-23/h4-5,7-10,12,15,24H,2-3,6,11,13H2,1H3/t15-/m0/s1
InChIKeyJLFHXNINERBPLZ-HNNXBMFYSA-N
XLogP2.98
TPSA79.73 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.41
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 2-hydroxy-6-[[(2S)-1-(2-methylpyridine-3-carbonyl)piperidin-2-yl]methoxy]benzaldehyde 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 2-hydroxy-6-[[(2S)-1-(2-methylpyridine-3-carbonyl)piperidin-2-yl]methoxy]benzaldehyde?
The IUPAC name of 2-hydroxy-6-[[(2S)-1-(2-methylpyridine-3-carbonyl)piperidin-2-yl]methoxy]benzaldehyde (CID 86295710) is 2-hydroxy-6-[[(2S)-1-(2-methylpyridine-3-carbonyl)piperidin-2-yl]methoxy]benzaldehyde.
What is the SMILES notation for 2-hydroxy-6-[[(2S)-1-(2-methylpyridine-3-carbonyl)piperidin-2-yl]methoxy]benzaldehyde?
The canonical SMILES for 2-hydroxy-6-[[(2S)-1-(2-methylpyridine-3-carbonyl)piperidin-2-yl]methoxy]benzaldehyde is Cc1ncccc1C(=O)N1CCCC[C@H]1COc1cccc(O)c1C=O.
What is the InChIKey of 2-hydroxy-6-[[(2S)-1-(2-methylpyridine-3-carbonyl)piperidin-2-yl]methoxy]benzaldehyde?
The InChIKey is JLFHXNINERBPLZ-HNNXBMFYSA-N. The full InChI is InChI=1S/C20H22N2O4/c1-14-16(7-5-10-21-14)20(25)22-11-3-2-6-15(22)13-26-19-9-4-8-18(24)17(19)12-23/h4-5,7-10,12,15,24H,2-3,6,11,13H2,1H3/t15-/m0/s1.
What are the key properties of 2-hydroxy-6-[[(2S)-1-(2-methylpyridine-3-carbonyl)piperidin-2-yl]methoxy]benzaldehyde?
2-hydroxy-6-[[(2S)-1-(2-methylpyridine-3-carbonyl)piperidin-2-yl]methoxy]benzaldehyde has a molecular weight of 354.41 g/mol, XLogP of 2.98, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-6-[[(2S)-1-(2-methylpyridine-3-carbonyl)piperidin-2-yl]methoxy]benzaldehyde is sourced from PubChem (CID 86295710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).