4-methoxy-5-[[4-(trifluoromethyl)piperidin-1-yl]methyl]pyrimidine

C12H16F3N3O — CID 126835232

IUPAC4-methoxy-5-[[4-(trifluoromethyl)piperidin-1-yl]methyl]pyrimidine
SMILESCOc1ncncc1CN1CCC(C(F)(F)F)CC1
InChIInChI=1S/C12H16F3N3O/c1-19-11-9(6-16-8-17-11)7-18-4-2-10(3-5-18)12(13,14)15/h6,8,10H,2-5,7H2,1H3
InChIKeyBSRBEXJLDSXNLT-UHFFFAOYSA-N
MW275.27 g/mol
LogP2.26
Rot. Bonds3

About 4-methoxy-5-[[4-(trifluoromethyl)piperidin-1-yl]methyl]pyrimidine

4-methoxy-5-[[4-(trifluoromethyl)piperidin-1-yl]methyl]pyrimidine (PubChem CID 126835232) has the molecular formula C12H16F3N3O and a molecular weight of 275.27 g/mol. Its IUPAC name is 4-methoxy-5-[[4-(trifluoromethyl)piperidin-1-yl]methyl]pyrimidine.

Molecular Properties

Compound Name4-methoxy-5-[[4-(trifluoromethyl)piperidin-1-yl]methyl]pyrimidine
PubChem CID126835232
Molecular FormulaC12H16F3N3O
Molecular Weight275.27 g/mol
Exact Mass275.12
IUPAC Name4-methoxy-5-[[4-(trifluoromethyl)piperidin-1-yl]methyl]pyrimidine
SMILESCOc1ncncc1CN1CCC(C(F)(F)F)CC1
InChIInChI=1S/C12H16F3N3O/c1-19-11-9(6-16-8-17-11)7-18-4-2-10(3-5-18)12(13,14)15/h6,8,10H,2-5,7H2,1H3
InChIKeyBSRBEXJLDSXNLT-UHFFFAOYSA-N
XLogP2.26
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.27
LogP ≤ 52.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 4-methoxy-5-[[4-(trifluoromethyl)piperidin-1-yl]methyl]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-methoxy-5-[[4-(trifluoromethyl)piperidin-1-yl]methyl]pyrimidine?
The IUPAC name of 4-methoxy-5-[[4-(trifluoromethyl)piperidin-1-yl]methyl]pyrimidine (CID 126835232) is 4-methoxy-5-[[4-(trifluoromethyl)piperidin-1-yl]methyl]pyrimidine.
What is the SMILES notation for 4-methoxy-5-[[4-(trifluoromethyl)piperidin-1-yl]methyl]pyrimidine?
The canonical SMILES for 4-methoxy-5-[[4-(trifluoromethyl)piperidin-1-yl]methyl]pyrimidine is COc1ncncc1CN1CCC(C(F)(F)F)CC1.
What is the InChIKey of 4-methoxy-5-[[4-(trifluoromethyl)piperidin-1-yl]methyl]pyrimidine?
The InChIKey is BSRBEXJLDSXNLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16F3N3O/c1-19-11-9(6-16-8-17-11)7-18-4-2-10(3-5-18)12(13,14)15/h6,8,10H,2-5,7H2,1H3.
What are the key properties of 4-methoxy-5-[[4-(trifluoromethyl)piperidin-1-yl]methyl]pyrimidine?
4-methoxy-5-[[4-(trifluoromethyl)piperidin-1-yl]methyl]pyrimidine has a molecular weight of 275.27 g/mol, XLogP of 2.26, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-5-[[4-(trifluoromethyl)piperidin-1-yl]methyl]pyrimidine is sourced from PubChem (CID 126835232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).