6-[4-(methoxymethyl)piperidin-1-yl]-5-methylpyridine-3-carbaldehyde

C14H20N2O2 — CID 80632225

IUPAC6-[4-(methoxymethyl)piperidin-1-yl]-5-methylpyridine-3-carbaldehyde
SMILESCOCC1CCN(c2ncc(C=O)cc2C)CC1
InChIInChI=1S/C14H20N2O2/c1-11-7-13(9-17)8-15-14(11)16-5-3-12(4-6-16)10-18-2/h7-9,12H,3-6,10H2,1-2H3
InChIKeyCZKPDFVTQWCQSI-UHFFFAOYSA-N
MW248.33 g/mol
LogP2.07
Rot. Bonds4

About 6-[4-(methoxymethyl)piperidin-1-yl]-5-methylpyridine-3-carbaldehyde

6-[4-(methoxymethyl)piperidin-1-yl]-5-methylpyridine-3-carbaldehyde (PubChem CID 80632225) has the molecular formula C14H20N2O2 and a molecular weight of 248.33 g/mol. Its IUPAC name is 6-[4-(methoxymethyl)piperidin-1-yl]-5-methylpyridine-3-carbaldehyde.

Molecular Properties

Compound Name6-[4-(methoxymethyl)piperidin-1-yl]-5-methylpyridine-3-carbaldehyde
PubChem CID80632225
Molecular FormulaC14H20N2O2
Molecular Weight248.33 g/mol
Exact Mass248.15
IUPAC Name6-[4-(methoxymethyl)piperidin-1-yl]-5-methylpyridine-3-carbaldehyde
SMILESCOCC1CCN(c2ncc(C=O)cc2C)CC1
InChIInChI=1S/C14H20N2O2/c1-11-7-13(9-17)8-15-14(11)16-5-3-12(4-6-16)10-18-2/h7-9,12H,3-6,10H2,1-2H3
InChIKeyCZKPDFVTQWCQSI-UHFFFAOYSA-N
XLogP2.07
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 52.07
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

6-[3-(methoxymethyl)piperidin-1-yl]-5-methylpyridine-3-carbaldehyde
CID 106587511
6-(4-methoxypiperidin-1-yl)-5-methylpyridine-3-carbaldehyde
CID 80636958
(E)-3-[6-[4-(methoxymethyl)piperidin-1-yl]-5-methyl-3-pyridinyl]prop-2-enoic acid
CID 80638023
5-methyl-6-(4-methylpiperidin-1-yl)pyridine-3-carbaldehyde
CID 80637128
6-[4-(dimethylamino)piperidin-1-yl]-5-methylpyridine-3-carbaldehyde
CID 80637820
[1-(5-formyl-3-methyl-2-pyridinyl)piperidin-4-yl]methyl N-tert-butylcarbamate
CID 154673240
6-(4-tert-butylpiperidin-1-yl)-5-methylpyridine-3-carbaldehyde
CID 80631324
6-[3-(dimethylamino)pyrrolidin-1-yl]-5-methylpyridine-3-carbaldehyde
CID 80630963
5-methyl-6-(4-propylpiperazin-1-yl)pyridine-3-carbaldehyde
CID 80636949
2-methoxy-N-[[6-[3-(methoxymethyl)pyrrolidin-1-yl]-5-methyl-3-pyridinyl]methyl]ethanamine
CID 80638789
6-(3,5-dioxopiperazin-1-yl)-5-methylpyridine-3-carbaldehyde
CID 80631216
(E)-3-[6-(4-methoxypiperidin-1-yl)-5-methyl-3-pyridinyl]prop-2-enoic acid
CID 80633393

Frequently Asked Questions

What is the IUPAC name of 6-[4-(methoxymethyl)piperidin-1-yl]-5-methylpyridine-3-carbaldehyde?
The IUPAC name of 6-[4-(methoxymethyl)piperidin-1-yl]-5-methylpyridine-3-carbaldehyde (CID 80632225) is 6-[4-(methoxymethyl)piperidin-1-yl]-5-methylpyridine-3-carbaldehyde.
What is the SMILES notation for 6-[4-(methoxymethyl)piperidin-1-yl]-5-methylpyridine-3-carbaldehyde?
The canonical SMILES for 6-[4-(methoxymethyl)piperidin-1-yl]-5-methylpyridine-3-carbaldehyde is COCC1CCN(c2ncc(C=O)cc2C)CC1.
What is the InChIKey of 6-[4-(methoxymethyl)piperidin-1-yl]-5-methylpyridine-3-carbaldehyde?
The InChIKey is CZKPDFVTQWCQSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2/c1-11-7-13(9-17)8-15-14(11)16-5-3-12(4-6-16)10-18-2/h7-9,12H,3-6,10H2,1-2H3.
What are the key properties of 6-[4-(methoxymethyl)piperidin-1-yl]-5-methylpyridine-3-carbaldehyde?
6-[4-(methoxymethyl)piperidin-1-yl]-5-methylpyridine-3-carbaldehyde has a molecular weight of 248.33 g/mol, XLogP of 2.07, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(methoxymethyl)piperidin-1-yl]-5-methylpyridine-3-carbaldehyde is sourced from PubChem (CID 80632225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).