2-[[(2R)-1-(2-formylbenzoyl)piperidin-2-yl]methoxy]-6-hydroxybenzaldehyde

C21H21NO5 — CID 146525211

IUPAC2-[[(2R)-1-(2-formylbenzoyl)piperidin-2-yl]methoxy]-6-hydroxybenzaldehyde
SMILESO=Cc1ccccc1C(=O)N1CCCC[C@@H]1COc1cccc(O)c1C=O
InChIInChI=1S/C21H21NO5/c23-12-15-6-1-2-8-17(15)21(26)22-11-4-3-7-16(22)14-27-20-10-5-9-19(25)18(20)13-24/h1-2,5-6,8-10,12-13,16,25H,3-4,7,11,14H2/t16-/m1/s1
InChIKeyZHAQYOLOVKUFPI-MRXNPFEDSA-N
MW367.40 g/mol
LogP3.09
Rot. Bonds6

About 2-[[(2R)-1-(2-formylbenzoyl)piperidin-2-yl]methoxy]-6-hydroxybenzaldehyde

2-[[(2R)-1-(2-formylbenzoyl)piperidin-2-yl]methoxy]-6-hydroxybenzaldehyde (PubChem CID 146525211) has the molecular formula C21H21NO5 and a molecular weight of 367.40 g/mol. Its IUPAC name is 2-[[(2R)-1-(2-formylbenzoyl)piperidin-2-yl]methoxy]-6-hydroxybenzaldehyde.

Molecular Properties

Compound Name2-[[(2R)-1-(2-formylbenzoyl)piperidin-2-yl]methoxy]-6-hydroxybenzaldehyde
PubChem CID146525211
Molecular FormulaC21H21NO5
Molecular Weight367.40 g/mol
Exact Mass367.14
IUPAC Name2-[[(2R)-1-(2-formylbenzoyl)piperidin-2-yl]methoxy]-6-hydroxybenzaldehyde
SMILESO=Cc1ccccc1C(=O)N1CCCC[C@@H]1COc1cccc(O)c1C=O
InChIInChI=1S/C21H21NO5/c23-12-15-6-1-2-8-17(15)21(26)22-11-4-3-7-16(22)14-27-20-10-5-9-19(25)18(20)13-24/h1-2,5-6,8-10,12-13,16,25H,3-4,7,11,14H2/t16-/m1/s1
InChIKeyZHAQYOLOVKUFPI-MRXNPFEDSA-N
XLogP3.09
TPSA83.91 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.40
LogP ≤ 53.09
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-[[(3S)-4-(2-formylbenzoyl)morpholin-3-yl]methoxy]-6-hydroxybenzaldehyde
CID 146525169
6-[[(2S)-1-(5-fluoro-2-formylbenzoyl)piperidin-2-yl]methoxy]-3-[(5S)-4-(2-formylbenzoyl)-5-[(2-formyl-3-hydroxyphenoxy)methyl]morpholin-2-yl]-2-hydroxybenzaldehyde
CID 146534485
5-[[1-(2-formyl-3-hydroxybenzoyl)piperidin-2-yl]methoxy]-2,3-dihydro-1-benzofuran-4-carbaldehyde
CID 170292058
2-hydroxy-6-[[(2S)-1-(6-methylpyridine-3-carbonyl)piperidin-2-yl]methoxy]benzaldehyde
CID 86295709
3-[(2S)-2-[(2-ethenyl-3-hydroxyphenoxy)methyl]piperidine-1-carbonyl]pyridine-2-carbaldehyde
CID 157229050
2-chloro-6-[(2S)-2-[2-(2-formyl-3-hydroxyphenoxy)ethyl]piperidine-1-carbonyl]benzaldehyde
CID 146580816
2-[(3S)-3-[(2-ethenyl-3-hydroxyphenoxy)methyl]morpholine-4-carbonyl]benzaldehyde
CID 160600088
2-hydroxy-6-[2-[(2S)-1-[2-(2-hydroxyethyl)benzoyl]piperidin-2-yl]ethoxy]benzaldehyde
CID 146616677
2-[(3S)-3-[(2-formylphenoxy)methyl]morpholine-4-carbonyl]-6-hydroxybenzaldehyde
CID 146464658
2-[3-[(2-formyl-3-hydroxyphenoxy)methyl]morpholine-4-carbonyl]-6-hydroxybenzaldehyde
CID 146464572
2-[(3S)-3-[(2-formyl-3-hydroxyphenoxy)methyl]morpholine-4-carbonyl]-6-hydroxybenzaldehyde
CID 146464571

Frequently Asked Questions

What is the IUPAC name of 2-[[(2R)-1-(2-formylbenzoyl)piperidin-2-yl]methoxy]-6-hydroxybenzaldehyde?
The IUPAC name of 2-[[(2R)-1-(2-formylbenzoyl)piperidin-2-yl]methoxy]-6-hydroxybenzaldehyde (CID 146525211) is 2-[[(2R)-1-(2-formylbenzoyl)piperidin-2-yl]methoxy]-6-hydroxybenzaldehyde.
What is the SMILES notation for 2-[[(2R)-1-(2-formylbenzoyl)piperidin-2-yl]methoxy]-6-hydroxybenzaldehyde?
The canonical SMILES for 2-[[(2R)-1-(2-formylbenzoyl)piperidin-2-yl]methoxy]-6-hydroxybenzaldehyde is O=Cc1ccccc1C(=O)N1CCCC[C@@H]1COc1cccc(O)c1C=O.
What is the InChIKey of 2-[[(2R)-1-(2-formylbenzoyl)piperidin-2-yl]methoxy]-6-hydroxybenzaldehyde?
The InChIKey is ZHAQYOLOVKUFPI-MRXNPFEDSA-N. The full InChI is InChI=1S/C21H21NO5/c23-12-15-6-1-2-8-17(15)21(26)22-11-4-3-7-16(22)14-27-20-10-5-9-19(25)18(20)13-24/h1-2,5-6,8-10,12-13,16,25H,3-4,7,11,14H2/t16-/m1/s1.
What are the key properties of 2-[[(2R)-1-(2-formylbenzoyl)piperidin-2-yl]methoxy]-6-hydroxybenzaldehyde?
2-[[(2R)-1-(2-formylbenzoyl)piperidin-2-yl]methoxy]-6-hydroxybenzaldehyde has a molecular weight of 367.40 g/mol, XLogP of 3.09, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(2R)-1-(2-formylbenzoyl)piperidin-2-yl]methoxy]-6-hydroxybenzaldehyde is sourced from PubChem (CID 146525211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).