6-piperidin-1-yl-2-(trifluoromethyl)pyrimidine-4-carbaldehyde

C11H12F3N3O — CID 83901823

IUPAC6-piperidin-1-yl-2-(trifluoromethyl)pyrimidine-4-carbaldehyde
SMILESO=Cc1cc(N2CCCCC2)nc(C(F)(F)F)n1
InChIInChI=1S/C11H12F3N3O/c12-11(13,14)10-15-8(7-18)6-9(16-10)17-4-2-1-3-5-17/h6-7H,1-5H2
InChIKeyULJINHAPMPONJS-UHFFFAOYSA-N
MW259.23 g/mol
LogP2.30
Rot. Bonds2

About 6-piperidin-1-yl-2-(trifluoromethyl)pyrimidine-4-carbaldehyde

6-piperidin-1-yl-2-(trifluoromethyl)pyrimidine-4-carbaldehyde (PubChem CID 83901823) has the molecular formula C11H12F3N3O and a molecular weight of 259.23 g/mol. Its IUPAC name is 6-piperidin-1-yl-2-(trifluoromethyl)pyrimidine-4-carbaldehyde.

Molecular Properties

Compound Name6-piperidin-1-yl-2-(trifluoromethyl)pyrimidine-4-carbaldehyde
PubChem CID83901823
Molecular FormulaC11H12F3N3O
Molecular Weight259.23 g/mol
Exact Mass259.09
IUPAC Name6-piperidin-1-yl-2-(trifluoromethyl)pyrimidine-4-carbaldehyde
SMILESO=Cc1cc(N2CCCCC2)nc(C(F)(F)F)n1
InChIInChI=1S/C11H12F3N3O/c12-11(13,14)10-15-8(7-18)6-9(16-10)17-4-2-1-3-5-17/h6-7H,1-5H2
InChIKeyULJINHAPMPONJS-UHFFFAOYSA-N
XLogP2.30
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.23
LogP ≤ 52.30
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-piperidin-1-yl-2-(trifluoromethyl)pyrimidine-4-carbaldehyde?
The IUPAC name of 6-piperidin-1-yl-2-(trifluoromethyl)pyrimidine-4-carbaldehyde (CID 83901823) is 6-piperidin-1-yl-2-(trifluoromethyl)pyrimidine-4-carbaldehyde.
What is the SMILES notation for 6-piperidin-1-yl-2-(trifluoromethyl)pyrimidine-4-carbaldehyde?
The canonical SMILES for 6-piperidin-1-yl-2-(trifluoromethyl)pyrimidine-4-carbaldehyde is O=Cc1cc(N2CCCCC2)nc(C(F)(F)F)n1.
What is the InChIKey of 6-piperidin-1-yl-2-(trifluoromethyl)pyrimidine-4-carbaldehyde?
The InChIKey is ULJINHAPMPONJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12F3N3O/c12-11(13,14)10-15-8(7-18)6-9(16-10)17-4-2-1-3-5-17/h6-7H,1-5H2.
What are the key properties of 6-piperidin-1-yl-2-(trifluoromethyl)pyrimidine-4-carbaldehyde?
6-piperidin-1-yl-2-(trifluoromethyl)pyrimidine-4-carbaldehyde has a molecular weight of 259.23 g/mol, XLogP of 2.30, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-piperidin-1-yl-2-(trifluoromethyl)pyrimidine-4-carbaldehyde is sourced from PubChem (CID 83901823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).