2-hydroxy-6-[2-[(2S)-1-[2-(2-hydroxyethyl)benzoyl]piperidin-2-yl]ethoxy]benzaldehyde

C23H27NO5 — CID 146616677

IUPAC2-hydroxy-6-[2-[(2S)-1-[2-(2-hydroxyethyl)benzoyl]piperidin-2-yl]ethoxy]benzaldehyde
SMILESO=Cc1c(O)cccc1OCC[C@@H]1CCCCN1C(=O)c1ccccc1CCO
InChIInChI=1S/C23H27NO5/c25-14-11-17-6-1-2-8-19(17)23(28)24-13-4-3-7-18(24)12-15-29-22-10-5-9-21(27)20(22)16-26/h1-2,5-6,8-10,16,18,25,27H,3-4,7,11-15H2/t18-/m0/s1
InChIKeyDJLDPJIALIMUBA-SFHVURJKSA-N
MW397.47 g/mol
LogP3.20
Rot. Bonds8

About 2-hydroxy-6-[2-[(2S)-1-[2-(2-hydroxyethyl)benzoyl]piperidin-2-yl]ethoxy]benzaldehyde

2-hydroxy-6-[2-[(2S)-1-[2-(2-hydroxyethyl)benzoyl]piperidin-2-yl]ethoxy]benzaldehyde (PubChem CID 146616677) has the molecular formula C23H27NO5 and a molecular weight of 397.47 g/mol. Its IUPAC name is 2-hydroxy-6-[2-[(2S)-1-[2-(2-hydroxyethyl)benzoyl]piperidin-2-yl]ethoxy]benzaldehyde.

Molecular Properties

Compound Name2-hydroxy-6-[2-[(2S)-1-[2-(2-hydroxyethyl)benzoyl]piperidin-2-yl]ethoxy]benzaldehyde
PubChem CID146616677
Molecular FormulaC23H27NO5
Molecular Weight397.47 g/mol
Exact Mass397.19
IUPAC Name2-hydroxy-6-[2-[(2S)-1-[2-(2-hydroxyethyl)benzoyl]piperidin-2-yl]ethoxy]benzaldehyde
SMILESO=Cc1c(O)cccc1OCC[C@@H]1CCCCN1C(=O)c1ccccc1CCO
InChIInChI=1S/C23H27NO5/c25-14-11-17-6-1-2-8-19(17)23(28)24-13-4-3-7-18(24)12-15-29-22-10-5-9-21(27)20(22)16-26/h1-2,5-6,8-10,16,18,25,27H,3-4,7,11-15H2/t18-/m0/s1
InChIKeyDJLDPJIALIMUBA-SFHVURJKSA-N
XLogP3.20
TPSA87.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.47
LogP ≤ 53.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-chloro-6-[(2S)-2-[2-(2-formyl-3-hydroxyphenoxy)ethyl]piperidine-1-carbonyl]benzaldehyde
CID 146580816
2-[[(2R)-1-(2-formylbenzoyl)piperidin-2-yl]methoxy]-6-hydroxybenzaldehyde
CID 146525211
2-hydroxy-6-[[1-(2-methylpyridine-3-carbonyl)piperidin-2-yl]methoxy]benzaldehyde
CID 118953502
2-hydroxy-6-[[(3S)-4-[2-(2-methoxyethyl)benzoyl]morpholin-3-yl]methoxy]benzaldehyde
CID 146567611
2-hydroxy-6-[[4-[2-(hydroxymethyl)benzoyl]morpholin-3-yl]methoxy]benzaldehyde
CID 146567661
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
1-[2-(2-hydroxyethyl)piperidin-1-yl]-3-(2-hydroxyphenyl)propan-1-one
CID 60742305
(2-ethylphenyl)-[2-(hydroxymethyl)azepan-1-yl]methanone
CID 116636551
[2-(2-phenoxyethyl)azepan-1-yl]-(2-phenylphenyl)methanone
CID 10179058
(2-ethoxyphenyl)-[2-(hydroxymethyl)piperidin-1-yl]methanone
CID 43421165
2-hydroxy-6-[[(2S)-1-[(2-methyl-3-pyridinyl)methyl]piperidin-2-yl]methoxy]benzaldehyde
CID 175099546

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-6-[2-[(2S)-1-[2-(2-hydroxyethyl)benzoyl]piperidin-2-yl]ethoxy]benzaldehyde?
The IUPAC name of 2-hydroxy-6-[2-[(2S)-1-[2-(2-hydroxyethyl)benzoyl]piperidin-2-yl]ethoxy]benzaldehyde (CID 146616677) is 2-hydroxy-6-[2-[(2S)-1-[2-(2-hydroxyethyl)benzoyl]piperidin-2-yl]ethoxy]benzaldehyde.
What is the SMILES notation for 2-hydroxy-6-[2-[(2S)-1-[2-(2-hydroxyethyl)benzoyl]piperidin-2-yl]ethoxy]benzaldehyde?
The canonical SMILES for 2-hydroxy-6-[2-[(2S)-1-[2-(2-hydroxyethyl)benzoyl]piperidin-2-yl]ethoxy]benzaldehyde is O=Cc1c(O)cccc1OCC[C@@H]1CCCCN1C(=O)c1ccccc1CCO.
What is the InChIKey of 2-hydroxy-6-[2-[(2S)-1-[2-(2-hydroxyethyl)benzoyl]piperidin-2-yl]ethoxy]benzaldehyde?
The InChIKey is DJLDPJIALIMUBA-SFHVURJKSA-N. The full InChI is InChI=1S/C23H27NO5/c25-14-11-17-6-1-2-8-19(17)23(28)24-13-4-3-7-18(24)12-15-29-22-10-5-9-21(27)20(22)16-26/h1-2,5-6,8-10,16,18,25,27H,3-4,7,11-15H2/t18-/m0/s1.
What are the key properties of 2-hydroxy-6-[2-[(2S)-1-[2-(2-hydroxyethyl)benzoyl]piperidin-2-yl]ethoxy]benzaldehyde?
2-hydroxy-6-[2-[(2S)-1-[2-(2-hydroxyethyl)benzoyl]piperidin-2-yl]ethoxy]benzaldehyde has a molecular weight of 397.47 g/mol, XLogP of 3.20, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-6-[2-[(2S)-1-[2-(2-hydroxyethyl)benzoyl]piperidin-2-yl]ethoxy]benzaldehyde is sourced from PubChem (CID 146616677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).