1-(5-methylpyrimidin-2-yl)piperidine-2-carbaldehyde

C11H15N3O — CID 63206263

IUPAC1-(5-methylpyrimidin-2-yl)piperidine-2-carbaldehyde
SMILESCc1cnc(N2CCCCC2C=O)nc1
InChIInChI=1S/C11H15N3O/c1-9-6-12-11(13-7-9)14-5-3-2-4-10(14)8-15/h6-8,10H,2-5H2,1H3
InChIKeyNBZMEIBVGRVMFY-UHFFFAOYSA-N
MW205.26 g/mol
LogP1.34
Rot. Bonds2

About 1-(5-methylpyrimidin-2-yl)piperidine-2-carbaldehyde

1-(5-methylpyrimidin-2-yl)piperidine-2-carbaldehyde (PubChem CID 63206263) has the molecular formula C11H15N3O and a molecular weight of 205.26 g/mol. Its IUPAC name is 1-(5-methylpyrimidin-2-yl)piperidine-2-carbaldehyde.

Molecular Properties

Compound Name1-(5-methylpyrimidin-2-yl)piperidine-2-carbaldehyde
PubChem CID63206263
Molecular FormulaC11H15N3O
Molecular Weight205.26 g/mol
Exact Mass205.12
IUPAC Name1-(5-methylpyrimidin-2-yl)piperidine-2-carbaldehyde
SMILESCc1cnc(N2CCCCC2C=O)nc1
InChIInChI=1S/C11H15N3O/c1-9-6-12-11(13-7-9)14-5-3-2-4-10(14)8-15/h6-8,10H,2-5H2,1H3
InChIKeyNBZMEIBVGRVMFY-UHFFFAOYSA-N
XLogP1.34
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.26
LogP ≤ 51.34
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 1-(5-methylpyrimidin-2-yl)piperidine-2-carbaldehyde?
The IUPAC name of 1-(5-methylpyrimidin-2-yl)piperidine-2-carbaldehyde (CID 63206263) is 1-(5-methylpyrimidin-2-yl)piperidine-2-carbaldehyde.
What is the SMILES notation for 1-(5-methylpyrimidin-2-yl)piperidine-2-carbaldehyde?
The canonical SMILES for 1-(5-methylpyrimidin-2-yl)piperidine-2-carbaldehyde is Cc1cnc(N2CCCCC2C=O)nc1.
What is the InChIKey of 1-(5-methylpyrimidin-2-yl)piperidine-2-carbaldehyde?
The InChIKey is NBZMEIBVGRVMFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O/c1-9-6-12-11(13-7-9)14-5-3-2-4-10(14)8-15/h6-8,10H,2-5H2,1H3.
What are the key properties of 1-(5-methylpyrimidin-2-yl)piperidine-2-carbaldehyde?
1-(5-methylpyrimidin-2-yl)piperidine-2-carbaldehyde has a molecular weight of 205.26 g/mol, XLogP of 1.34, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-methylpyrimidin-2-yl)piperidine-2-carbaldehyde is sourced from PubChem (CID 63206263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).