4-methoxy-6-[4-(trifluoromethyl)piperidin-1-yl]pyrimidine

C11H14F3N3O — CID 154883330

IUPAC4-methoxy-6-[4-(trifluoromethyl)piperidin-1-yl]pyrimidine
SMILESCOc1cc(N2CCC(C(F)(F)F)CC2)ncn1
InChIInChI=1S/C11H14F3N3O/c1-18-10-6-9(15-7-16-10)17-4-2-8(3-5-17)11(12,13)14/h6-8H,2-5H2,1H3
InChIKeySIIQXYQUPANANM-UHFFFAOYSA-N
MW261.25 g/mol
LogP2.26
Rot. Bonds2

About 4-methoxy-6-[4-(trifluoromethyl)piperidin-1-yl]pyrimidine

4-methoxy-6-[4-(trifluoromethyl)piperidin-1-yl]pyrimidine (PubChem CID 154883330) has the molecular formula C11H14F3N3O and a molecular weight of 261.25 g/mol. Its IUPAC name is 4-methoxy-6-[4-(trifluoromethyl)piperidin-1-yl]pyrimidine.

Molecular Properties

Compound Name4-methoxy-6-[4-(trifluoromethyl)piperidin-1-yl]pyrimidine
PubChem CID154883330
Molecular FormulaC11H14F3N3O
Molecular Weight261.25 g/mol
Exact Mass261.11
IUPAC Name4-methoxy-6-[4-(trifluoromethyl)piperidin-1-yl]pyrimidine
SMILESCOc1cc(N2CCC(C(F)(F)F)CC2)ncn1
InChIInChI=1S/C11H14F3N3O/c1-18-10-6-9(15-7-16-10)17-4-2-8(3-5-17)11(12,13)14/h6-8H,2-5H2,1H3
InChIKeySIIQXYQUPANANM-UHFFFAOYSA-N
XLogP2.26
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.25
LogP ≤ 52.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-methoxy-6-[4-(trifluoromethyl)piperidin-1-yl]pyrimidine?
The IUPAC name of 4-methoxy-6-[4-(trifluoromethyl)piperidin-1-yl]pyrimidine (CID 154883330) is 4-methoxy-6-[4-(trifluoromethyl)piperidin-1-yl]pyrimidine.
What is the SMILES notation for 4-methoxy-6-[4-(trifluoromethyl)piperidin-1-yl]pyrimidine?
The canonical SMILES for 4-methoxy-6-[4-(trifluoromethyl)piperidin-1-yl]pyrimidine is COc1cc(N2CCC(C(F)(F)F)CC2)ncn1.
What is the InChIKey of 4-methoxy-6-[4-(trifluoromethyl)piperidin-1-yl]pyrimidine?
The InChIKey is SIIQXYQUPANANM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F3N3O/c1-18-10-6-9(15-7-16-10)17-4-2-8(3-5-17)11(12,13)14/h6-8H,2-5H2,1H3.
What are the key properties of 4-methoxy-6-[4-(trifluoromethyl)piperidin-1-yl]pyrimidine?
4-methoxy-6-[4-(trifluoromethyl)piperidin-1-yl]pyrimidine has a molecular weight of 261.25 g/mol, XLogP of 2.26, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-6-[4-(trifluoromethyl)piperidin-1-yl]pyrimidine is sourced from PubChem (CID 154883330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).