(6R)-6-(2,6-dimethoxyphenyl)-1-(quinolin-2-ylmethyl)piperidine-2-carbaldehyde

C24H26N2O3 — CID 174697806

IUPAC(6R)-6-(2,6-dimethoxyphenyl)-1-(quinolin-2-ylmethyl)piperidine-2-carbaldehyde
SMILESCOc1cccc(OC)c1[C@H]1CCCC(C=O)N1Cc1ccc2ccccc2n1
InChIInChI=1S/C24H26N2O3/c1-28-22-11-6-12-23(29-2)24(22)21-10-5-8-19(16-27)26(21)15-18-14-13-17-7-3-4-9-20(17)25-18/h3-4,6-7,9,11-14,16,19,21H,5,8,10,15H2,1-2H3/t19?,21-/m1/s1
InChIKeyGIPNCEYWPGRBNS-VGAJERRHSA-N
MW390.48 g/mol
LogP4.55
Rot. Bonds6

About (6R)-6-(2,6-dimethoxyphenyl)-1-(quinolin-2-ylmethyl)piperidine-2-carbaldehyde

(6R)-6-(2,6-dimethoxyphenyl)-1-(quinolin-2-ylmethyl)piperidine-2-carbaldehyde (PubChem CID 174697806) has the molecular formula C24H26N2O3 and a molecular weight of 390.48 g/mol. Its IUPAC name is (6R)-6-(2,6-dimethoxyphenyl)-1-(quinolin-2-ylmethyl)piperidine-2-carbaldehyde.

Molecular Properties

Compound Name(6R)-6-(2,6-dimethoxyphenyl)-1-(quinolin-2-ylmethyl)piperidine-2-carbaldehyde
PubChem CID174697806
Molecular FormulaC24H26N2O3
Molecular Weight390.48 g/mol
Exact Mass390.19
IUPAC Name(6R)-6-(2,6-dimethoxyphenyl)-1-(quinolin-2-ylmethyl)piperidine-2-carbaldehyde
SMILESCOc1cccc(OC)c1[C@H]1CCCC(C=O)N1Cc1ccc2ccccc2n1
InChIInChI=1S/C24H26N2O3/c1-28-22-11-6-12-23(29-2)24(22)21-10-5-8-19(16-27)26(21)15-18-14-13-17-7-3-4-9-20(17)25-18/h3-4,6-7,9,11-14,16,19,21H,5,8,10,15H2,1-2H3/t19?,21-/m1/s1
InChIKeyGIPNCEYWPGRBNS-VGAJERRHSA-N
XLogP4.55
TPSA51.66 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.48
LogP ≤ 54.55
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-[(2-phenyl-1,3-thiazol-4-yl)methyl]azepane-2-carbaldehyde
CID 174685602
6-(2,6-dimethoxyphenyl)-1-[(1-methylindol-2-yl)methyl]piperidine-2-carbaldehyde
CID 174685483
1-[[5-(difluoromethoxy)-2-pyridinyl]methyl]-6-(2,6-dimethoxyphenyl)piperidine-2-carbaldehyde
CID 174697688
7-(2,6-dimethoxyphenyl)-1-[(3-pyridin-4-ylphenyl)methyl]azepane-2-carbaldehyde
CID 174685489
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-[(9-methylcarbazol-3-yl)methyl]azepane-2-carbaldehyde
CID 174685587
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
6-[4-(aminomethyl)-2,6-dimethoxyphenyl]-1-[[4-(trifluoromethoxy)phenyl]methyl]piperidine-2-carbaldehyde
CID 174685519
2,6-dimethoxy-N-[(1R,2R)-2-(quinolin-2-ylmethyl)cyclopentyl]benzamide
CID 125464627
2,6-dimethoxy-N-[2-(quinolin-2-ylmethyl)cyclopentyl]benzamide
CID 118024564

Frequently Asked Questions

What is the IUPAC name of (6R)-6-(2,6-dimethoxyphenyl)-1-(quinolin-2-ylmethyl)piperidine-2-carbaldehyde?
The IUPAC name of (6R)-6-(2,6-dimethoxyphenyl)-1-(quinolin-2-ylmethyl)piperidine-2-carbaldehyde (CID 174697806) is (6R)-6-(2,6-dimethoxyphenyl)-1-(quinolin-2-ylmethyl)piperidine-2-carbaldehyde.
What is the SMILES notation for (6R)-6-(2,6-dimethoxyphenyl)-1-(quinolin-2-ylmethyl)piperidine-2-carbaldehyde?
The canonical SMILES for (6R)-6-(2,6-dimethoxyphenyl)-1-(quinolin-2-ylmethyl)piperidine-2-carbaldehyde is COc1cccc(OC)c1[C@H]1CCCC(C=O)N1Cc1ccc2ccccc2n1.
What is the InChIKey of (6R)-6-(2,6-dimethoxyphenyl)-1-(quinolin-2-ylmethyl)piperidine-2-carbaldehyde?
The InChIKey is GIPNCEYWPGRBNS-VGAJERRHSA-N. The full InChI is InChI=1S/C24H26N2O3/c1-28-22-11-6-12-23(29-2)24(22)21-10-5-8-19(16-27)26(21)15-18-14-13-17-7-3-4-9-20(17)25-18/h3-4,6-7,9,11-14,16,19,21H,5,8,10,15H2,1-2H3/t19?,21-/m1/s1.
What are the key properties of (6R)-6-(2,6-dimethoxyphenyl)-1-(quinolin-2-ylmethyl)piperidine-2-carbaldehyde?
(6R)-6-(2,6-dimethoxyphenyl)-1-(quinolin-2-ylmethyl)piperidine-2-carbaldehyde has a molecular weight of 390.48 g/mol, XLogP of 4.55, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (6R)-6-(2,6-dimethoxyphenyl)-1-(quinolin-2-ylmethyl)piperidine-2-carbaldehyde is sourced from PubChem (CID 174697806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).