4-[1-(3,3,3-trifluoro-2-methylpropyl)piperidin-4-yl]pyrimidine

C13H18F3N3 — CID 77083838

IUPAC4-[1-(3,3,3-trifluoro-2-methylpropyl)piperidin-4-yl]pyrimidine
SMILESCC(CN1CCC(c2ccncn2)CC1)C(F)(F)F
InChIInChI=1S/C13H18F3N3/c1-10(13(14,15)16)8-19-6-3-11(4-7-19)12-2-5-17-9-18-12/h2,5,9-11H,3-4,6-8H2,1H3
InChIKeyDNILYHFGYMBXEI-UHFFFAOYSA-N
MW273.30 g/mol
LogP2.85
Rot. Bonds3

About 4-[1-(3,3,3-trifluoro-2-methylpropyl)piperidin-4-yl]pyrimidine

4-[1-(3,3,3-trifluoro-2-methylpropyl)piperidin-4-yl]pyrimidine (PubChem CID 77083838) has the molecular formula C13H18F3N3 and a molecular weight of 273.30 g/mol. Its IUPAC name is 4-[1-(3,3,3-trifluoro-2-methylpropyl)piperidin-4-yl]pyrimidine.

Molecular Properties

Compound Name4-[1-(3,3,3-trifluoro-2-methylpropyl)piperidin-4-yl]pyrimidine
PubChem CID77083838
Molecular FormulaC13H18F3N3
Molecular Weight273.30 g/mol
Exact Mass273.15
IUPAC Name4-[1-(3,3,3-trifluoro-2-methylpropyl)piperidin-4-yl]pyrimidine
SMILESCC(CN1CCC(c2ccncn2)CC1)C(F)(F)F
InChIInChI=1S/C13H18F3N3/c1-10(13(14,15)16)8-19-6-3-11(4-7-19)12-2-5-17-9-18-12/h2,5,9-11H,3-4,6-8H2,1H3
InChIKeyDNILYHFGYMBXEI-UHFFFAOYSA-N
XLogP2.85
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.30
LogP ≤ 52.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 4-[1-(3,3,3-trifluoro-2-methylpropyl)piperidin-4-yl]pyrimidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[1-(3,3,3-trifluoro-2-methylpropyl)piperidin-4-yl]pyrimidine?
The IUPAC name of 4-[1-(3,3,3-trifluoro-2-methylpropyl)piperidin-4-yl]pyrimidine (CID 77083838) is 4-[1-(3,3,3-trifluoro-2-methylpropyl)piperidin-4-yl]pyrimidine.
What is the SMILES notation for 4-[1-(3,3,3-trifluoro-2-methylpropyl)piperidin-4-yl]pyrimidine?
The canonical SMILES for 4-[1-(3,3,3-trifluoro-2-methylpropyl)piperidin-4-yl]pyrimidine is CC(CN1CCC(c2ccncn2)CC1)C(F)(F)F.
What is the InChIKey of 4-[1-(3,3,3-trifluoro-2-methylpropyl)piperidin-4-yl]pyrimidine?
The InChIKey is DNILYHFGYMBXEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18F3N3/c1-10(13(14,15)16)8-19-6-3-11(4-7-19)12-2-5-17-9-18-12/h2,5,9-11H,3-4,6-8H2,1H3.
What are the key properties of 4-[1-(3,3,3-trifluoro-2-methylpropyl)piperidin-4-yl]pyrimidine?
4-[1-(3,3,3-trifluoro-2-methylpropyl)piperidin-4-yl]pyrimidine has a molecular weight of 273.30 g/mol, XLogP of 2.85, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(3,3,3-trifluoro-2-methylpropyl)piperidin-4-yl]pyrimidine is sourced from PubChem (CID 77083838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).