2-hydroxy-6-[[(2S)-1-[(2-methyl-3-pyridinyl)methyl]piperidin-2-yl]methoxy]benzaldehyde

C20H24N2O3 — CID 175099546

IUPAC2-hydroxy-6-[[(2S)-1-[(2-methyl-3-pyridinyl)methyl]piperidin-2-yl]methoxy]benzaldehyde
SMILESCc1ncccc1CN1CCCC[C@H]1COc1cccc(O)c1C=O
InChIInChI=1S/C20H24N2O3/c1-15-16(6-5-10-21-15)12-22-11-3-2-7-17(22)14-25-20-9-4-8-19(24)18(20)13-23/h4-6,8-10,13,17,24H,2-3,7,11-12,14H2,1H3/t17-/m0/s1
InChIKeyJXLYAJQPQCQVLW-KRWDZBQOSA-N
MW340.42 g/mol
LogP3.34
Rot. Bonds6

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

2-hydroxy-6-[[(2S)-1-[(2-methyl-3-pyridinyl)methyl]piperidin-2-yl]methoxy]benzaldehyde (PubChem CID 175099546) has the molecular formula C20H24N2O3 and a molecular weight of 340.42 g/mol. Its IUPAC name is 2-hydroxy-6-[[(2S)-1-[(2-methyl-3-pyridinyl)methyl]piperidin-2-yl]methoxy]benzaldehyde.

Molecular Properties

Compound Name2-hydroxy-6-[[(2S)-1-[(2-methyl-3-pyridinyl)methyl]piperidin-2-yl]methoxy]benzaldehyde
PubChem CID175099546
Molecular FormulaC20H24N2O3
Molecular Weight340.42 g/mol
Exact Mass340.18
IUPAC Name2-hydroxy-6-[[(2S)-1-[(2-methyl-3-pyridinyl)methyl]piperidin-2-yl]methoxy]benzaldehyde
SMILESCc1ncccc1CN1CCCC[C@H]1COc1cccc(O)c1C=O
InChIInChI=1S/C20H24N2O3/c1-15-16(6-5-10-21-15)12-22-11-3-2-7-17(22)14-25-20-9-4-8-19(24)18(20)13-23/h4-6,8-10,13,17,24H,2-3,7,11-12,14H2,1H3/t17-/m0/s1
InChIKeyJXLYAJQPQCQVLW-KRWDZBQOSA-N
XLogP3.34
TPSA62.66 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.42
LogP ≤ 53.34
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-hydroxy-6-[[(2S)-1-(6-methylpyridine-3-carbonyl)piperidin-2-yl]methoxy]benzaldehyde
CID 86295709
[1-[(2-methyl-3-pyridinyl)methyl]piperidin-2-yl]methyl N-propan-2-ylcarbamate
CID 154758472
ethane;2-hydroxy-6-[[1-(2-propan-2-ylpyrazol-3-yl)piperidin-2-yl]methoxy]benzaldehyde
CID 145045372
2-[[(2R)-1-(2-formylbenzoyl)piperidin-2-yl]methoxy]-6-hydroxybenzaldehyde
CID 146525211
3-[(2S)-2-[(2-ethenyl-3-hydroxyphenoxy)methyl]piperidine-1-carbonyl]pyridine-2-carbaldehyde
CID 157229050
2-[[(2S)-1-(benzenesulfonyl)pyrrolidin-2-yl]methoxy]-6-hydroxybenzaldehyde
CID 86295502
2-[[2-(1-cyclopentylpyrrol-2-yl)-3-pyridinyl]methoxy]-6-hydroxybenzaldehyde
CID 90438070
2-hydroxy-6-[2-[(2S)-1-[2-(2-hydroxyethyl)benzoyl]piperidin-2-yl]ethoxy]benzaldehyde
CID 146616677
2-hydroxy-6-[[(3R)-4-[2-(1-hydroxyethyl)pyridine-3-carbonyl]thiomorpholin-3-yl]methoxy]benzaldehyde
CID 146567594
2-[[2-(azetidine-1-carbonyl)-3-pyridinyl]methoxy]-6-hydroxybenzaldehyde
CID 86298334
2-chloro-6-[(2S)-2-[2-(2-formyl-3-hydroxyphenoxy)ethyl]piperidine-1-carbonyl]benzaldehyde
CID 146580816

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-6-[[(2S)-1-[(2-methyl-3-pyridinyl)methyl]piperidin-2-yl]methoxy]benzaldehyde?
The IUPAC name of 2-hydroxy-6-[[(2S)-1-[(2-methyl-3-pyridinyl)methyl]piperidin-2-yl]methoxy]benzaldehyde (CID 175099546) is 2-hydroxy-6-[[(2S)-1-[(2-methyl-3-pyridinyl)methyl]piperidin-2-yl]methoxy]benzaldehyde.
What is the SMILES notation for 2-hydroxy-6-[[(2S)-1-[(2-methyl-3-pyridinyl)methyl]piperidin-2-yl]methoxy]benzaldehyde?
The canonical SMILES for 2-hydroxy-6-[[(2S)-1-[(2-methyl-3-pyridinyl)methyl]piperidin-2-yl]methoxy]benzaldehyde is Cc1ncccc1CN1CCCC[C@H]1COc1cccc(O)c1C=O.
What is the InChIKey of 2-hydroxy-6-[[(2S)-1-[(2-methyl-3-pyridinyl)methyl]piperidin-2-yl]methoxy]benzaldehyde?
The InChIKey is JXLYAJQPQCQVLW-KRWDZBQOSA-N. The full InChI is InChI=1S/C20H24N2O3/c1-15-16(6-5-10-21-15)12-22-11-3-2-7-17(22)14-25-20-9-4-8-19(24)18(20)13-23/h4-6,8-10,13,17,24H,2-3,7,11-12,14H2,1H3/t17-/m0/s1.
What are the key properties of 2-hydroxy-6-[[(2S)-1-[(2-methyl-3-pyridinyl)methyl]piperidin-2-yl]methoxy]benzaldehyde?
2-hydroxy-6-[[(2S)-1-[(2-methyl-3-pyridinyl)methyl]piperidin-2-yl]methoxy]benzaldehyde has a molecular weight of 340.42 g/mol, XLogP of 3.34, 6 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-methyl-3-pyridinyl)methyl]piperidin-2-yl]methoxy]benzaldehyde is sourced from PubChem (CID 175099546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).