4-(4-methylpiperidin-1-yl)-2-[3-(trifluoromethoxy)cyclobutyl]pyrimidine

C15H20F3N3O — CID 158395900

IUPAC4-(4-methylpiperidin-1-yl)-2-[3-(trifluoromethoxy)cyclobutyl]pyrimidine
SMILESCC1CCN(c2ccnc(C3CC(OC(F)(F)F)C3)n2)CC1
InChIInChI=1S/C15H20F3N3O/c1-10-3-6-21(7-4-10)13-2-5-19-14(20-13)11-8-12(9-11)22-15(16,17)18/h2,5,10-12H,3-4,6-9H2,1H3
InChIKeyQALRNTSUPANRRE-UHFFFAOYSA-N
MW315.34 g/mol
LogP3.50
Rot. Bonds3

About 4-(4-methylpiperidin-1-yl)-2-[3-(trifluoromethoxy)cyclobutyl]pyrimidine

4-(4-methylpiperidin-1-yl)-2-[3-(trifluoromethoxy)cyclobutyl]pyrimidine (PubChem CID 158395900) has the molecular formula C15H20F3N3O and a molecular weight of 315.34 g/mol. Its IUPAC name is 4-(4-methylpiperidin-1-yl)-2-[3-(trifluoromethoxy)cyclobutyl]pyrimidine.

Molecular Properties

Compound Name4-(4-methylpiperidin-1-yl)-2-[3-(trifluoromethoxy)cyclobutyl]pyrimidine
PubChem CID158395900
Molecular FormulaC15H20F3N3O
Molecular Weight315.34 g/mol
Exact Mass315.16
IUPAC Name4-(4-methylpiperidin-1-yl)-2-[3-(trifluoromethoxy)cyclobutyl]pyrimidine
SMILESCC1CCN(c2ccnc(C3CC(OC(F)(F)F)C3)n2)CC1
InChIInChI=1S/C15H20F3N3O/c1-10-3-6-21(7-4-10)13-2-5-19-14(20-13)11-8-12(9-11)22-15(16,17)18/h2,5,10-12H,3-4,6-9H2,1H3
InChIKeyQALRNTSUPANRRE-UHFFFAOYSA-N
XLogP3.50
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.34
LogP ≤ 53.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(4-methylpiperidin-1-yl)-2-[3-(trifluoromethoxy)cyclobutyl]pyrimidine?
The IUPAC name of 4-(4-methylpiperidin-1-yl)-2-[3-(trifluoromethoxy)cyclobutyl]pyrimidine (CID 158395900) is 4-(4-methylpiperidin-1-yl)-2-[3-(trifluoromethoxy)cyclobutyl]pyrimidine.
What is the SMILES notation for 4-(4-methylpiperidin-1-yl)-2-[3-(trifluoromethoxy)cyclobutyl]pyrimidine?
The canonical SMILES for 4-(4-methylpiperidin-1-yl)-2-[3-(trifluoromethoxy)cyclobutyl]pyrimidine is CC1CCN(c2ccnc(C3CC(OC(F)(F)F)C3)n2)CC1.
What is the InChIKey of 4-(4-methylpiperidin-1-yl)-2-[3-(trifluoromethoxy)cyclobutyl]pyrimidine?
The InChIKey is QALRNTSUPANRRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20F3N3O/c1-10-3-6-21(7-4-10)13-2-5-19-14(20-13)11-8-12(9-11)22-15(16,17)18/h2,5,10-12H,3-4,6-9H2,1H3.
What are the key properties of 4-(4-methylpiperidin-1-yl)-2-[3-(trifluoromethoxy)cyclobutyl]pyrimidine?
4-(4-methylpiperidin-1-yl)-2-[3-(trifluoromethoxy)cyclobutyl]pyrimidine has a molecular weight of 315.34 g/mol, XLogP of 3.50, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methylpiperidin-1-yl)-2-[3-(trifluoromethoxy)cyclobutyl]pyrimidine is sourced from PubChem (CID 158395900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).