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

C20H22N2O4 — CID 86295709

IUPAC2-hydroxy-6-[[(2S)-1-(6-methylpyridine-3-carbonyl)piperidin-2-yl]methoxy]benzaldehyde
SMILESCc1ccc(C(=O)N2CCCC[C@H]2COc2cccc(O)c2C=O)cn1
InChIInChI=1S/C20H22N2O4/c1-14-8-9-15(11-21-14)20(25)22-10-3-2-5-16(22)13-26-19-7-4-6-18(24)17(19)12-23/h4,6-9,11-12,16,24H,2-3,5,10,13H2,1H3/t16-/m0/s1
InChIKeyRYLYOEVKMYTDQA-INIZCTEOSA-N
MW354.41 g/mol
LogP2.98
Rot. Bonds5

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

2-hydroxy-6-[[(2S)-1-(6-methylpyridine-3-carbonyl)piperidin-2-yl]methoxy]benzaldehyde (PubChem CID 86295709) has the molecular formula C20H22N2O4 and a molecular weight of 354.41 g/mol. Its IUPAC name is 2-hydroxy-6-[[(2S)-1-(6-methylpyridine-3-carbonyl)piperidin-2-yl]methoxy]benzaldehyde.

Molecular Properties

Compound Name2-hydroxy-6-[[(2S)-1-(6-methylpyridine-3-carbonyl)piperidin-2-yl]methoxy]benzaldehyde
PubChem CID86295709
Molecular FormulaC20H22N2O4
Molecular Weight354.41 g/mol
Exact Mass354.16
IUPAC Name2-hydroxy-6-[[(2S)-1-(6-methylpyridine-3-carbonyl)piperidin-2-yl]methoxy]benzaldehyde
SMILESCc1ccc(C(=O)N2CCCC[C@H]2COc2cccc(O)c2C=O)cn1
InChIInChI=1S/C20H22N2O4/c1-14-8-9-15(11-21-14)20(25)22-10-3-2-5-16(22)13-26-19-7-4-6-18(24)17(19)12-23/h4,6-9,11-12,16,24H,2-3,5,10,13H2,1H3/t16-/m0/s1
InChIKeyRYLYOEVKMYTDQA-INIZCTEOSA-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'}

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Related Compounds

2-hydroxy-6-[[1-(2-methylpyridine-3-carbonyl)piperidin-2-yl]methoxy]benzaldehyde
CID 118953502
2-[[(2R)-1-(2-formylbenzoyl)piperidin-2-yl]methoxy]-6-hydroxybenzaldehyde
CID 146525211
2-[1-(6-methylpyridine-3-carbonyl)piperidin-2-yl]acetic acid
CID 54899855
2-hydroxy-6-[[(2S)-1-[(2-methyl-3-pyridinyl)methyl]piperidin-2-yl]methoxy]benzaldehyde
CID 175099546
3-[(2S)-2-[(2-ethenyl-3-hydroxyphenoxy)methyl]piperidine-1-carbonyl]pyridine-2-carbaldehyde
CID 157229050
benzoyl chloride;2-[[(2S)-1-benzoylpiperidin-2-yl]methoxy]-6-hydroxybenzaldehyde;2,6-dihydroxybenzaldehyde;[(2S)-2-(hydroxymethyl)piperidin-1-yl]-phenylmethanone;methane;[(2S)-piperidin-2-yl]methanol;hydrochloride
CID 157453731
5-[[1-(2-formyl-3-hydroxybenzoyl)piperidin-2-yl]methoxy]-2,3-dihydro-1-benzofuran-4-carbaldehyde
CID 170292058
2-chloro-6-[(2S)-2-[2-(2-formyl-3-hydroxyphenoxy)ethyl]piperidine-1-carbonyl]benzaldehyde
CID 146580816
[(2S)-2-[(2R)-2-(furan-2-yl)-2-hydroxyethyl]azepan-1-yl]-(6-methyl-3-pyridinyl)methanone
CID 125131336
[2-(3-hydroxypropyl)pyrrolidin-1-yl]-(6-methyl-3-pyridinyl)methanone
CID 62468426
2-[(3S)-3-[(2-formyl-3-hydroxyphenoxy)methyl]morpholine-4-carbonyl]-6-hydroxybenzaldehyde
CID 146464571
2-[3-[(2-formyl-3-hydroxyphenoxy)methyl]morpholine-4-carbonyl]-6-hydroxybenzaldehyde
CID 146464572

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-6-[[(2S)-1-(6-methylpyridine-3-carbonyl)piperidin-2-yl]methoxy]benzaldehyde?
The IUPAC name of 2-hydroxy-6-[[(2S)-1-(6-methylpyridine-3-carbonyl)piperidin-2-yl]methoxy]benzaldehyde (CID 86295709) is 2-hydroxy-6-[[(2S)-1-(6-methylpyridine-3-carbonyl)piperidin-2-yl]methoxy]benzaldehyde.
What is the SMILES notation for 2-hydroxy-6-[[(2S)-1-(6-methylpyridine-3-carbonyl)piperidin-2-yl]methoxy]benzaldehyde?
The canonical SMILES for 2-hydroxy-6-[[(2S)-1-(6-methylpyridine-3-carbonyl)piperidin-2-yl]methoxy]benzaldehyde is Cc1ccc(C(=O)N2CCCC[C@H]2COc2cccc(O)c2C=O)cn1.
What is the InChIKey of 2-hydroxy-6-[[(2S)-1-(6-methylpyridine-3-carbonyl)piperidin-2-yl]methoxy]benzaldehyde?
The InChIKey is RYLYOEVKMYTDQA-INIZCTEOSA-N. The full InChI is InChI=1S/C20H22N2O4/c1-14-8-9-15(11-21-14)20(25)22-10-3-2-5-16(22)13-26-19-7-4-6-18(24)17(19)12-23/h4,6-9,11-12,16,24H,2-3,5,10,13H2,1H3/t16-/m0/s1.
What are the key properties of 2-hydroxy-6-[[(2S)-1-(6-methylpyridine-3-carbonyl)piperidin-2-yl]methoxy]benzaldehyde?
2-hydroxy-6-[[(2S)-1-(6-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-(6-methylpyridine-3-carbonyl)piperidin-2-yl]methoxy]benzaldehyde is sourced from PubChem (CID 86295709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).