6-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]pyridine-3-carbaldehyde

C14H21N3O — CID 80632585

IUPAC6-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]pyridine-3-carbaldehyde
SMILESCN1CCC(CN(C)c2ccc(C=O)cn2)CC1
InChIInChI=1S/C14H21N3O/c1-16-7-5-12(6-8-16)10-17(2)14-4-3-13(11-18)9-15-14/h3-4,9,11-12H,5-8,10H2,1-2H3
InChIKeyLNIIYEPJDWHGDL-UHFFFAOYSA-N
MW247.34 g/mol
LogP1.67
Rot. Bonds4

About 6-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]pyridine-3-carbaldehyde

6-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]pyridine-3-carbaldehyde (PubChem CID 80632585) has the molecular formula C14H21N3O and a molecular weight of 247.34 g/mol. Its IUPAC name is 6-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]pyridine-3-carbaldehyde.

Molecular Properties

Compound Name6-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]pyridine-3-carbaldehyde
PubChem CID80632585
Molecular FormulaC14H21N3O
Molecular Weight247.34 g/mol
Exact Mass247.17
IUPAC Name6-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]pyridine-3-carbaldehyde
SMILESCN1CCC(CN(C)c2ccc(C=O)cn2)CC1
InChIInChI=1S/C14H21N3O/c1-16-7-5-12(6-8-16)10-17(2)14-4-3-13(11-18)9-15-14/h3-4,9,11-12H,5-8,10H2,1-2H3
InChIKeyLNIIYEPJDWHGDL-UHFFFAOYSA-N
XLogP1.67
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 51.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]pyridine-3-carbaldehyde?
The IUPAC name of 6-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]pyridine-3-carbaldehyde (CID 80632585) is 6-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]pyridine-3-carbaldehyde.
What is the SMILES notation for 6-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]pyridine-3-carbaldehyde?
The canonical SMILES for 6-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]pyridine-3-carbaldehyde is CN1CCC(CN(C)c2ccc(C=O)cn2)CC1.
What is the InChIKey of 6-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]pyridine-3-carbaldehyde?
The InChIKey is LNIIYEPJDWHGDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O/c1-16-7-5-12(6-8-16)10-17(2)14-4-3-13(11-18)9-15-14/h3-4,9,11-12H,5-8,10H2,1-2H3.
What are the key properties of 6-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]pyridine-3-carbaldehyde?
6-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]pyridine-3-carbaldehyde has a molecular weight of 247.34 g/mol, XLogP of 1.67, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]pyridine-3-carbaldehyde is sourced from PubChem (CID 80632585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).