4-[4-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]piperidin-1-yl]oxolan-3-ol

C15H20F3N3O2 — CID 110097349

IUPAC4-[4-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]piperidin-1-yl]oxolan-3-ol
SMILESCc1cc(C(F)(F)F)nc(C2CCN(C3COCC3O)CC2)n1
InChIInChI=1S/C15H20F3N3O2/c1-9-6-13(15(16,17)18)20-14(19-9)10-2-4-21(5-3-10)11-7-23-8-12(11)22/h6,10-12,22H,2-5,7-8H2,1H3
InChIKeyMJZYBDUQJMFZTP-UHFFFAOYSA-N
MW331.34 g/mol
LogP1.74
Rot. Bonds2

About 4-[4-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]piperidin-1-yl]oxolan-3-ol

4-[4-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]piperidin-1-yl]oxolan-3-ol (PubChem CID 110097349) has the molecular formula C15H20F3N3O2 and a molecular weight of 331.34 g/mol. Its IUPAC name is 4-[4-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]piperidin-1-yl]oxolan-3-ol.

Molecular Properties

Compound Name4-[4-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]piperidin-1-yl]oxolan-3-ol
PubChem CID110097349
Molecular FormulaC15H20F3N3O2
Molecular Weight331.34 g/mol
Exact Mass331.15
IUPAC Name4-[4-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]piperidin-1-yl]oxolan-3-ol
SMILESCc1cc(C(F)(F)F)nc(C2CCN(C3COCC3O)CC2)n1
InChIInChI=1S/C15H20F3N3O2/c1-9-6-13(15(16,17)18)20-14(19-9)10-2-4-21(5-3-10)11-7-23-8-12(11)22/h6,10-12,22H,2-5,7-8H2,1H3
InChIKeyMJZYBDUQJMFZTP-UHFFFAOYSA-N
XLogP1.74
TPSA58.48 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.34
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-[4-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]piperidin-1-yl]oxolan-3-ol 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-[4-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]piperidin-1-yl]oxolan-3-ol?
The IUPAC name of 4-[4-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]piperidin-1-yl]oxolan-3-ol (CID 110097349) is 4-[4-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]piperidin-1-yl]oxolan-3-ol.
What is the SMILES notation for 4-[4-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]piperidin-1-yl]oxolan-3-ol?
The canonical SMILES for 4-[4-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]piperidin-1-yl]oxolan-3-ol is Cc1cc(C(F)(F)F)nc(C2CCN(C3COCC3O)CC2)n1.
What is the InChIKey of 4-[4-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]piperidin-1-yl]oxolan-3-ol?
The InChIKey is MJZYBDUQJMFZTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20F3N3O2/c1-9-6-13(15(16,17)18)20-14(19-9)10-2-4-21(5-3-10)11-7-23-8-12(11)22/h6,10-12,22H,2-5,7-8H2,1H3.
What are the key properties of 4-[4-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]piperidin-1-yl]oxolan-3-ol?
4-[4-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]piperidin-1-yl]oxolan-3-ol has a molecular weight of 331.34 g/mol, XLogP of 1.74, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]piperidin-1-yl]oxolan-3-ol is sourced from PubChem (CID 110097349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).