2-(piperidin-4-ylmethoxy)-4-(trifluoromethyl)pyrimidine

C11H14F3N3O — CID 64585690

IUPAC2-(piperidin-4-ylmethoxy)-4-(trifluoromethyl)pyrimidine
SMILESFC(F)(F)c1ccnc(OCC2CCNCC2)n1
InChIInChI=1S/C11H14F3N3O/c12-11(13,14)9-3-6-16-10(17-9)18-7-8-1-4-15-5-2-8/h3,6,8,15H,1-2,4-5,7H2
InChIKeyAIMKRWHPMXRLIN-UHFFFAOYSA-N
MW261.25 g/mol
LogP1.87
Rot. Bonds3

About 2-(piperidin-4-ylmethoxy)-4-(trifluoromethyl)pyrimidine

2-(piperidin-4-ylmethoxy)-4-(trifluoromethyl)pyrimidine (PubChem CID 64585690) has the molecular formula C11H14F3N3O and a molecular weight of 261.25 g/mol. Its IUPAC name is 2-(piperidin-4-ylmethoxy)-4-(trifluoromethyl)pyrimidine.

Molecular Properties

Compound Name2-(piperidin-4-ylmethoxy)-4-(trifluoromethyl)pyrimidine
PubChem CID64585690
Molecular FormulaC11H14F3N3O
Molecular Weight261.25 g/mol
Exact Mass261.11
IUPAC Name2-(piperidin-4-ylmethoxy)-4-(trifluoromethyl)pyrimidine
SMILESFC(F)(F)c1ccnc(OCC2CCNCC2)n1
InChIInChI=1S/C11H14F3N3O/c12-11(13,14)9-3-6-16-10(17-9)18-7-8-1-4-15-5-2-8/h3,6,8,15H,1-2,4-5,7H2
InChIKeyAIMKRWHPMXRLIN-UHFFFAOYSA-N
XLogP1.87
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.25
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(piperidin-4-ylmethoxy)-4-(trifluoromethyl)pyrimidine?
The IUPAC name of 2-(piperidin-4-ylmethoxy)-4-(trifluoromethyl)pyrimidine (CID 64585690) is 2-(piperidin-4-ylmethoxy)-4-(trifluoromethyl)pyrimidine.
What is the SMILES notation for 2-(piperidin-4-ylmethoxy)-4-(trifluoromethyl)pyrimidine?
The canonical SMILES for 2-(piperidin-4-ylmethoxy)-4-(trifluoromethyl)pyrimidine is FC(F)(F)c1ccnc(OCC2CCNCC2)n1.
What is the InChIKey of 2-(piperidin-4-ylmethoxy)-4-(trifluoromethyl)pyrimidine?
The InChIKey is AIMKRWHPMXRLIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F3N3O/c12-11(13,14)9-3-6-16-10(17-9)18-7-8-1-4-15-5-2-8/h3,6,8,15H,1-2,4-5,7H2.
What are the key properties of 2-(piperidin-4-ylmethoxy)-4-(trifluoromethyl)pyrimidine?
2-(piperidin-4-ylmethoxy)-4-(trifluoromethyl)pyrimidine has a molecular weight of 261.25 g/mol, XLogP of 1.87, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(piperidin-4-ylmethoxy)-4-(trifluoromethyl)pyrimidine is sourced from PubChem (CID 64585690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).