2-(2-piperidin-3-ylethoxy)-4-(trifluoromethyl)pyrimidine

C12H16F3N3O — CID 64585874

IUPAC2-(2-piperidin-3-ylethoxy)-4-(trifluoromethyl)pyrimidine
SMILESFC(F)(F)c1ccnc(OCCC2CCCNC2)n1
InChIInChI=1S/C12H16F3N3O/c13-12(14,15)10-3-6-17-11(18-10)19-7-4-9-2-1-5-16-8-9/h3,6,9,16H,1-2,4-5,7-8H2
InChIKeyKJJZDCJHFSOIIU-UHFFFAOYSA-N
MW275.27 g/mol
LogP2.26
Rot. Bonds4

About 2-(2-piperidin-3-ylethoxy)-4-(trifluoromethyl)pyrimidine

2-(2-piperidin-3-ylethoxy)-4-(trifluoromethyl)pyrimidine (PubChem CID 64585874) has the molecular formula C12H16F3N3O and a molecular weight of 275.27 g/mol. Its IUPAC name is 2-(2-piperidin-3-ylethoxy)-4-(trifluoromethyl)pyrimidine.

Molecular Properties

Compound Name2-(2-piperidin-3-ylethoxy)-4-(trifluoromethyl)pyrimidine
PubChem CID64585874
Molecular FormulaC12H16F3N3O
Molecular Weight275.27 g/mol
Exact Mass275.12
IUPAC Name2-(2-piperidin-3-ylethoxy)-4-(trifluoromethyl)pyrimidine
SMILESFC(F)(F)c1ccnc(OCCC2CCCNC2)n1
InChIInChI=1S/C12H16F3N3O/c13-12(14,15)10-3-6-17-11(18-10)19-7-4-9-2-1-5-16-8-9/h3,6,9,16H,1-2,4-5,7-8H2
InChIKeyKJJZDCJHFSOIIU-UHFFFAOYSA-N
XLogP2.26
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.27
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-(2-piperidin-3-ylethoxy)-4-(trifluoromethyl)pyrimidine with MolForge

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

Launch Full Analysis

Related Compounds

CID 23133612
CID 23133612
CID 172434778
CID 172434778
CID 24248968
CID 24248968
CID 40155098
CID 40155098
CID 56863545
CID 56863545
CID 72004361
CID 72004361
CID 72870644
CID 72870644
CID 95329868
CID 95329868
CID 18187469
CID 18187469
CID 52911159
CID 52911159
CID 59026288
CID 59026288
CID 59586070
CID 59586070

Frequently Asked Questions

What is the IUPAC name of 2-(2-piperidin-3-ylethoxy)-4-(trifluoromethyl)pyrimidine?
The IUPAC name of 2-(2-piperidin-3-ylethoxy)-4-(trifluoromethyl)pyrimidine (CID 64585874) is 2-(2-piperidin-3-ylethoxy)-4-(trifluoromethyl)pyrimidine.
What is the SMILES notation for 2-(2-piperidin-3-ylethoxy)-4-(trifluoromethyl)pyrimidine?
The canonical SMILES for 2-(2-piperidin-3-ylethoxy)-4-(trifluoromethyl)pyrimidine is FC(F)(F)c1ccnc(OCCC2CCCNC2)n1.
What is the InChIKey of 2-(2-piperidin-3-ylethoxy)-4-(trifluoromethyl)pyrimidine?
The InChIKey is KJJZDCJHFSOIIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16F3N3O/c13-12(14,15)10-3-6-17-11(18-10)19-7-4-9-2-1-5-16-8-9/h3,6,9,16H,1-2,4-5,7-8H2.
What are the key properties of 2-(2-piperidin-3-ylethoxy)-4-(trifluoromethyl)pyrimidine?
2-(2-piperidin-3-ylethoxy)-4-(trifluoromethyl)pyrimidine has a molecular weight of 275.27 g/mol, XLogP of 2.26, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-piperidin-3-ylethoxy)-4-(trifluoromethyl)pyrimidine is sourced from PubChem (CID 64585874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).