6-(4-methoxypiperidin-1-yl)-5-methylpyridine-3-carbaldehyde

C13H18N2O2 — CID 80636958

IUPAC6-(4-methoxypiperidin-1-yl)-5-methylpyridine-3-carbaldehyde
SMILESCOC1CCN(c2ncc(C=O)cc2C)CC1
InChIInChI=1S/C13H18N2O2/c1-10-7-11(9-16)8-14-13(10)15-5-3-12(17-2)4-6-15/h7-9,12H,3-6H2,1-2H3
InChIKeyAYWXQUJCWKXIAD-UHFFFAOYSA-N
MW234.30 g/mol
LogP1.82
Rot. Bonds3

About 6-(4-methoxypiperidin-1-yl)-5-methylpyridine-3-carbaldehyde

6-(4-methoxypiperidin-1-yl)-5-methylpyridine-3-carbaldehyde (PubChem CID 80636958) has the molecular formula C13H18N2O2 and a molecular weight of 234.30 g/mol. Its IUPAC name is 6-(4-methoxypiperidin-1-yl)-5-methylpyridine-3-carbaldehyde.

Molecular Properties

Compound Name6-(4-methoxypiperidin-1-yl)-5-methylpyridine-3-carbaldehyde
PubChem CID80636958
Molecular FormulaC13H18N2O2
Molecular Weight234.30 g/mol
Exact Mass234.14
IUPAC Name6-(4-methoxypiperidin-1-yl)-5-methylpyridine-3-carbaldehyde
SMILESCOC1CCN(c2ncc(C=O)cc2C)CC1
InChIInChI=1S/C13H18N2O2/c1-10-7-11(9-16)8-14-13(10)15-5-3-12(17-2)4-6-15/h7-9,12H,3-6H2,1-2H3
InChIKeyAYWXQUJCWKXIAD-UHFFFAOYSA-N
XLogP1.82
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 51.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-methyl-6-(4-methylpiperidin-1-yl)pyridine-3-carbaldehyde
CID 80637128
6-[4-(methoxymethyl)piperidin-1-yl]-5-methylpyridine-3-carbaldehyde
CID 80632225
(E)-3-[6-(4-methoxypiperidin-1-yl)-5-methyl-3-pyridinyl]prop-2-enoic acid
CID 80633393
6-[4-(dimethylamino)piperidin-1-yl]-5-methylpyridine-3-carbaldehyde
CID 80637820
6-(4-tert-butylpiperidin-1-yl)-5-methylpyridine-3-carbaldehyde
CID 80631324
6-[3-(dimethylamino)pyrrolidin-1-yl]-5-methylpyridine-3-carbaldehyde
CID 80630963
6-[3-(methoxymethyl)piperidin-1-yl]-5-methylpyridine-3-carbaldehyde
CID 106587511
5-methyl-6-(4-propylpiperazin-1-yl)pyridine-3-carbaldehyde
CID 80636949
[1-(5-formyl-3-methyl-2-pyridinyl)piperidin-4-yl]methyl N-tert-butylcarbamate
CID 154673240
6-(3,5-dioxopiperazin-1-yl)-5-methylpyridine-3-carbaldehyde
CID 80631216
(4-methoxypiperidin-1-yl)-(5-methyl-6-piperazin-1-yl-3-pyridinyl)methanone
CID 141343812
(E)-3-[6-[4-(methoxymethyl)piperidin-1-yl]-5-methyl-3-pyridinyl]prop-2-enoic acid
CID 80638023

Frequently Asked Questions

What is the IUPAC name of 6-(4-methoxypiperidin-1-yl)-5-methylpyridine-3-carbaldehyde?
The IUPAC name of 6-(4-methoxypiperidin-1-yl)-5-methylpyridine-3-carbaldehyde (CID 80636958) is 6-(4-methoxypiperidin-1-yl)-5-methylpyridine-3-carbaldehyde.
What is the SMILES notation for 6-(4-methoxypiperidin-1-yl)-5-methylpyridine-3-carbaldehyde?
The canonical SMILES for 6-(4-methoxypiperidin-1-yl)-5-methylpyridine-3-carbaldehyde is COC1CCN(c2ncc(C=O)cc2C)CC1.
What is the InChIKey of 6-(4-methoxypiperidin-1-yl)-5-methylpyridine-3-carbaldehyde?
The InChIKey is AYWXQUJCWKXIAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O2/c1-10-7-11(9-16)8-14-13(10)15-5-3-12(17-2)4-6-15/h7-9,12H,3-6H2,1-2H3.
What are the key properties of 6-(4-methoxypiperidin-1-yl)-5-methylpyridine-3-carbaldehyde?
6-(4-methoxypiperidin-1-yl)-5-methylpyridine-3-carbaldehyde has a molecular weight of 234.30 g/mol, XLogP of 1.82, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-methoxypiperidin-1-yl)-5-methylpyridine-3-carbaldehyde is sourced from PubChem (CID 80636958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).