2-phenyl-4-(3-piperidin-1-ylpropoxy)-6-(trifluoromethyl)pyrimidine

C19H22F3N3O — CID 118723340

IUPAC2-phenyl-4-(3-piperidin-1-ylpropoxy)-6-(trifluoromethyl)pyrimidine
SMILESFC(F)(F)c1cc(OCCCN2CCCCC2)nc(-c2ccccc2)n1
InChIInChI=1S/C19H22F3N3O/c20-19(21,22)16-14-17(24-18(23-16)15-8-3-1-4-9-15)26-13-7-12-25-10-5-2-6-11-25/h1,3-4,8-9,14H,2,5-7,10-13H2
InChIKeyZQANRRWCHKJCDD-UHFFFAOYSA-N
MW365.40 g/mol
LogP4.42
Rot. Bonds6

About 2-phenyl-4-(3-piperidin-1-ylpropoxy)-6-(trifluoromethyl)pyrimidine

2-phenyl-4-(3-piperidin-1-ylpropoxy)-6-(trifluoromethyl)pyrimidine (PubChem CID 118723340) has the molecular formula C19H22F3N3O and a molecular weight of 365.40 g/mol. Its IUPAC name is 2-phenyl-4-(3-piperidin-1-ylpropoxy)-6-(trifluoromethyl)pyrimidine.

Molecular Properties

Compound Name2-phenyl-4-(3-piperidin-1-ylpropoxy)-6-(trifluoromethyl)pyrimidine
PubChem CID118723340
Molecular FormulaC19H22F3N3O
Molecular Weight365.40 g/mol
Exact Mass365.17
IUPAC Name2-phenyl-4-(3-piperidin-1-ylpropoxy)-6-(trifluoromethyl)pyrimidine
SMILESFC(F)(F)c1cc(OCCCN2CCCCC2)nc(-c2ccccc2)n1
InChIInChI=1S/C19H22F3N3O/c20-19(21,22)16-14-17(24-18(23-16)15-8-3-1-4-9-15)26-13-7-12-25-10-5-2-6-11-25/h1,3-4,8-9,14H,2,5-7,10-13H2
InChIKeyZQANRRWCHKJCDD-UHFFFAOYSA-N
XLogP4.42
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.40
LogP ≤ 54.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-phenyl-4-(3-piperidin-1-ylpropoxy)-6-(trifluoromethyl)pyrimidine?
The IUPAC name of 2-phenyl-4-(3-piperidin-1-ylpropoxy)-6-(trifluoromethyl)pyrimidine (CID 118723340) is 2-phenyl-4-(3-piperidin-1-ylpropoxy)-6-(trifluoromethyl)pyrimidine.
What is the SMILES notation for 2-phenyl-4-(3-piperidin-1-ylpropoxy)-6-(trifluoromethyl)pyrimidine?
The canonical SMILES for 2-phenyl-4-(3-piperidin-1-ylpropoxy)-6-(trifluoromethyl)pyrimidine is FC(F)(F)c1cc(OCCCN2CCCCC2)nc(-c2ccccc2)n1.
What is the InChIKey of 2-phenyl-4-(3-piperidin-1-ylpropoxy)-6-(trifluoromethyl)pyrimidine?
The InChIKey is ZQANRRWCHKJCDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22F3N3O/c20-19(21,22)16-14-17(24-18(23-16)15-8-3-1-4-9-15)26-13-7-12-25-10-5-2-6-11-25/h1,3-4,8-9,14H,2,5-7,10-13H2.
What are the key properties of 2-phenyl-4-(3-piperidin-1-ylpropoxy)-6-(trifluoromethyl)pyrimidine?
2-phenyl-4-(3-piperidin-1-ylpropoxy)-6-(trifluoromethyl)pyrimidine has a molecular weight of 365.40 g/mol, XLogP of 4.42, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-4-(3-piperidin-1-ylpropoxy)-6-(trifluoromethyl)pyrimidine is sourced from PubChem (CID 118723340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).