6-(2,6-dimethoxyphenyl)-1-[(4-fluoro-3-pyridin-2-ylphenyl)methyl]piperidine-2-carbaldehyde

C26H27FN2O3 — CID 174697802

IUPAC6-(2,6-dimethoxyphenyl)-1-[(4-fluoro-3-pyridin-2-ylphenyl)methyl]piperidine-2-carbaldehyde
SMILESCOc1cccc(OC)c1C1CCCC(C=O)N1Cc1ccc(F)c(-c2ccccn2)c1
InChIInChI=1S/C26H27FN2O3/c1-31-24-10-6-11-25(32-2)26(24)23-9-5-7-19(17-30)29(23)16-18-12-13-21(27)20(15-18)22-8-3-4-14-28-22/h3-4,6,8,10-15,17,19,23H,5,7,9,16H2,1-2H3
InChIKeyOPILNSROUQGCFD-UHFFFAOYSA-N
MW434.51 g/mol
LogP5.20
Rot. Bonds7

About 6-(2,6-dimethoxyphenyl)-1-[(4-fluoro-3-pyridin-2-ylphenyl)methyl]piperidine-2-carbaldehyde

6-(2,6-dimethoxyphenyl)-1-[(4-fluoro-3-pyridin-2-ylphenyl)methyl]piperidine-2-carbaldehyde (PubChem CID 174697802) has the molecular formula C26H27FN2O3 and a molecular weight of 434.51 g/mol. Its IUPAC name is 6-(2,6-dimethoxyphenyl)-1-[(4-fluoro-3-pyridin-2-ylphenyl)methyl]piperidine-2-carbaldehyde.

Molecular Properties

Compound Name6-(2,6-dimethoxyphenyl)-1-[(4-fluoro-3-pyridin-2-ylphenyl)methyl]piperidine-2-carbaldehyde
PubChem CID174697802
Molecular FormulaC26H27FN2O3
Molecular Weight434.51 g/mol
Exact Mass434.20
IUPAC Name6-(2,6-dimethoxyphenyl)-1-[(4-fluoro-3-pyridin-2-ylphenyl)methyl]piperidine-2-carbaldehyde
SMILESCOc1cccc(OC)c1C1CCCC(C=O)N1Cc1ccc(F)c(-c2ccccn2)c1
InChIInChI=1S/C26H27FN2O3/c1-31-24-10-6-11-25(32-2)26(24)23-9-5-7-19(17-30)29(23)16-18-12-13-21(27)20(15-18)22-8-3-4-14-28-22/h3-4,6,8,10-15,17,19,23H,5,7,9,16H2,1-2H3
InChIKeyOPILNSROUQGCFD-UHFFFAOYSA-N
XLogP5.20
TPSA51.66 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500434.51
LogP ≤ 55.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-[(2-chloro-5-pyridin-2-ylphenyl)methyl]-6-(2,6-dimethoxyphenyl)piperidine-2-carbaldehyde
CID 174697712
6-(2,6-dimethoxyphenyl)-1-[(3-pyrazol-1-ylphenyl)methyl]piperidine-2-carbaldehyde
CID 174685596
7-(2,6-dimethoxyphenyl)-1-[[3-(triazol-2-yl)phenyl]methyl]azepane-2-carbaldehyde
CID 174685486
7-(2,6-dimethoxyphenyl)-1-[(3-pyridin-4-ylphenyl)methyl]azepane-2-carbaldehyde
CID 174685489
7-(2,6-dimethoxyphenyl)-1-[(9-methylcarbazol-3-yl)methyl]azepane-2-carbaldehyde
CID 174685587
(6R)-6-(2,6-dimethoxyphenyl)-1-(quinolin-2-ylmethyl)piperidine-2-carbaldehyde
CID 174697806
6-(2,6-dimethoxyphenyl)-1-[(1-methylindol-2-yl)methyl]piperidine-2-carbaldehyde
CID 174685483
7-(2,6-dimethoxyphenyl)-1-[(2-phenyl-1,3-thiazol-4-yl)methyl]azepane-2-carbaldehyde
CID 174685602
1-[[5-(difluoromethoxy)-2-pyridinyl]methyl]-6-(2,6-dimethoxyphenyl)piperidine-2-carbaldehyde
CID 174697688
6-[4-(aminomethyl)-2,6-dimethoxyphenyl]-1-[[4-(trifluoromethoxy)phenyl]methyl]piperidine-2-carbaldehyde
CID 174685519
(6R)-6-(2,6-dimethoxyphenyl)-1-(quinolin-6-ylmethyl)piperidin-2-one
CID 124528104
6-(2,6-dimethoxyphenyl)-1-(quinoxalin-6-ylmethyl)piperidin-2-one
CID 69083291

Frequently Asked Questions

What is the IUPAC name of 6-(2,6-dimethoxyphenyl)-1-[(4-fluoro-3-pyridin-2-ylphenyl)methyl]piperidine-2-carbaldehyde?
The IUPAC name of 6-(2,6-dimethoxyphenyl)-1-[(4-fluoro-3-pyridin-2-ylphenyl)methyl]piperidine-2-carbaldehyde (CID 174697802) is 6-(2,6-dimethoxyphenyl)-1-[(4-fluoro-3-pyridin-2-ylphenyl)methyl]piperidine-2-carbaldehyde.
What is the SMILES notation for 6-(2,6-dimethoxyphenyl)-1-[(4-fluoro-3-pyridin-2-ylphenyl)methyl]piperidine-2-carbaldehyde?
The canonical SMILES for 6-(2,6-dimethoxyphenyl)-1-[(4-fluoro-3-pyridin-2-ylphenyl)methyl]piperidine-2-carbaldehyde is COc1cccc(OC)c1C1CCCC(C=O)N1Cc1ccc(F)c(-c2ccccn2)c1.
What is the InChIKey of 6-(2,6-dimethoxyphenyl)-1-[(4-fluoro-3-pyridin-2-ylphenyl)methyl]piperidine-2-carbaldehyde?
The InChIKey is OPILNSROUQGCFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27FN2O3/c1-31-24-10-6-11-25(32-2)26(24)23-9-5-7-19(17-30)29(23)16-18-12-13-21(27)20(15-18)22-8-3-4-14-28-22/h3-4,6,8,10-15,17,19,23H,5,7,9,16H2,1-2H3.
What are the key properties of 6-(2,6-dimethoxyphenyl)-1-[(4-fluoro-3-pyridin-2-ylphenyl)methyl]piperidine-2-carbaldehyde?
6-(2,6-dimethoxyphenyl)-1-[(4-fluoro-3-pyridin-2-ylphenyl)methyl]piperidine-2-carbaldehyde has a molecular weight of 434.51 g/mol, XLogP of 5.20, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,6-dimethoxyphenyl)-1-[(4-fluoro-3-pyridin-2-ylphenyl)methyl]piperidine-2-carbaldehyde is sourced from PubChem (CID 174697802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).