6-(2,6-dimethoxyphenyl)-1-[(1-methylindol-2-yl)methyl]piperidine-2-carbaldehyde

C24H28N2O3 — CID 174685483

IUPAC6-(2,6-dimethoxyphenyl)-1-[(1-methylindol-2-yl)methyl]piperidine-2-carbaldehyde
SMILESCOc1cccc(OC)c1C1CCCC(C=O)N1Cc1cc2ccccc2n1C
InChIInChI=1S/C24H28N2O3/c1-25-19(14-17-8-4-5-10-20(17)25)15-26-18(16-27)9-6-11-21(26)24-22(28-2)12-7-13-23(24)29-3/h4-5,7-8,10,12-14,16,18,21H,6,9,11,15H2,1-3H3
InChIKeyQOOZZSSNIUURIU-UHFFFAOYSA-N
MW392.50 g/mol
LogP4.49
Rot. Bonds6

About 6-(2,6-dimethoxyphenyl)-1-[(1-methylindol-2-yl)methyl]piperidine-2-carbaldehyde

6-(2,6-dimethoxyphenyl)-1-[(1-methylindol-2-yl)methyl]piperidine-2-carbaldehyde (PubChem CID 174685483) has the molecular formula C24H28N2O3 and a molecular weight of 392.50 g/mol. Its IUPAC name is 6-(2,6-dimethoxyphenyl)-1-[(1-methylindol-2-yl)methyl]piperidine-2-carbaldehyde.

Molecular Properties

Compound Name6-(2,6-dimethoxyphenyl)-1-[(1-methylindol-2-yl)methyl]piperidine-2-carbaldehyde
PubChem CID174685483
Molecular FormulaC24H28N2O3
Molecular Weight392.50 g/mol
Exact Mass392.21
IUPAC Name6-(2,6-dimethoxyphenyl)-1-[(1-methylindol-2-yl)methyl]piperidine-2-carbaldehyde
SMILESCOc1cccc(OC)c1C1CCCC(C=O)N1Cc1cc2ccccc2n1C
InChIInChI=1S/C24H28N2O3/c1-25-19(14-17-8-4-5-10-20(17)25)15-26-18(16-27)9-6-11-21(26)24-22(28-2)12-7-13-23(24)29-3/h4-5,7-8,10,12-14,16,18,21H,6,9,11,15H2,1-3H3
InChIKeyQOOZZSSNIUURIU-UHFFFAOYSA-N
XLogP4.49
TPSA43.70 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.50
LogP ≤ 54.49
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

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
7-(2,6-dimethoxyphenyl)-1-[(2-phenyl-1,3-thiazol-4-yl)methyl]azepane-2-carbaldehyde
CID 174685602
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
6-(2,6-dimethoxyphenyl)-1-[(4-fluoro-3-pyridin-2-ylphenyl)methyl]piperidine-2-carbaldehyde
CID 174697802
1-[(2-chloro-5-pyridin-2-ylphenyl)methyl]-6-(2,6-dimethoxyphenyl)piperidine-2-carbaldehyde
CID 174697712
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
(2,6-dimethoxyphenyl)-[3-(1-methylindol-2-yl)pyrrolidin-1-yl]methanone
CID 113088442
(2R)-2-(2,6-dimethoxyphenyl)piperidine-1-carbaldehyde
CID 124500754

Frequently Asked Questions

What is the IUPAC name of 6-(2,6-dimethoxyphenyl)-1-[(1-methylindol-2-yl)methyl]piperidine-2-carbaldehyde?
The IUPAC name of 6-(2,6-dimethoxyphenyl)-1-[(1-methylindol-2-yl)methyl]piperidine-2-carbaldehyde (CID 174685483) is 6-(2,6-dimethoxyphenyl)-1-[(1-methylindol-2-yl)methyl]piperidine-2-carbaldehyde.
What is the SMILES notation for 6-(2,6-dimethoxyphenyl)-1-[(1-methylindol-2-yl)methyl]piperidine-2-carbaldehyde?
The canonical SMILES for 6-(2,6-dimethoxyphenyl)-1-[(1-methylindol-2-yl)methyl]piperidine-2-carbaldehyde is COc1cccc(OC)c1C1CCCC(C=O)N1Cc1cc2ccccc2n1C.
What is the InChIKey of 6-(2,6-dimethoxyphenyl)-1-[(1-methylindol-2-yl)methyl]piperidine-2-carbaldehyde?
The InChIKey is QOOZZSSNIUURIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N2O3/c1-25-19(14-17-8-4-5-10-20(17)25)15-26-18(16-27)9-6-11-21(26)24-22(28-2)12-7-13-23(24)29-3/h4-5,7-8,10,12-14,16,18,21H,6,9,11,15H2,1-3H3.
What are the key properties of 6-(2,6-dimethoxyphenyl)-1-[(1-methylindol-2-yl)methyl]piperidine-2-carbaldehyde?
6-(2,6-dimethoxyphenyl)-1-[(1-methylindol-2-yl)methyl]piperidine-2-carbaldehyde has a molecular weight of 392.50 g/mol, XLogP of 4.49, 6 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-[(1-methylindol-2-yl)methyl]piperidine-2-carbaldehyde is sourced from PubChem (CID 174685483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).