2-[4-methoxy-4-(trifluoromethyl)piperidin-1-yl]pyrazine

C11H14F3N3O — CID 122243096

IUPAC2-[4-methoxy-4-(trifluoromethyl)piperidin-1-yl]pyrazine
SMILESCOC1(C(F)(F)F)CCN(c2cnccn2)CC1
InChIInChI=1S/C11H14F3N3O/c1-18-10(11(12,13)14)2-6-17(7-3-10)9-8-15-4-5-16-9/h4-5,8H,2-3,6-7H2,1H3
InChIKeyPIPUNLWBEXTPCS-UHFFFAOYSA-N
MW261.25 g/mol
LogP2.02
Rot. Bonds2

About 2-[4-methoxy-4-(trifluoromethyl)piperidin-1-yl]pyrazine

2-[4-methoxy-4-(trifluoromethyl)piperidin-1-yl]pyrazine (PubChem CID 122243096) has the molecular formula C11H14F3N3O and a molecular weight of 261.25 g/mol. Its IUPAC name is 2-[4-methoxy-4-(trifluoromethyl)piperidin-1-yl]pyrazine.

Molecular Properties

Compound Name2-[4-methoxy-4-(trifluoromethyl)piperidin-1-yl]pyrazine
PubChem CID122243096
Molecular FormulaC11H14F3N3O
Molecular Weight261.25 g/mol
Exact Mass261.11
IUPAC Name2-[4-methoxy-4-(trifluoromethyl)piperidin-1-yl]pyrazine
SMILESCOC1(C(F)(F)F)CCN(c2cnccn2)CC1
InChIInChI=1S/C11H14F3N3O/c1-18-10(11(12,13)14)2-6-17(7-3-10)9-8-15-4-5-16-9/h4-5,8H,2-3,6-7H2,1H3
InChIKeyPIPUNLWBEXTPCS-UHFFFAOYSA-N
XLogP2.02
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 ≤ 52.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[4-methoxy-4-(trifluoromethyl)piperidin-1-yl]pyrazine?
The IUPAC name of 2-[4-methoxy-4-(trifluoromethyl)piperidin-1-yl]pyrazine (CID 122243096) is 2-[4-methoxy-4-(trifluoromethyl)piperidin-1-yl]pyrazine.
What is the SMILES notation for 2-[4-methoxy-4-(trifluoromethyl)piperidin-1-yl]pyrazine?
The canonical SMILES for 2-[4-methoxy-4-(trifluoromethyl)piperidin-1-yl]pyrazine is COC1(C(F)(F)F)CCN(c2cnccn2)CC1.
What is the InChIKey of 2-[4-methoxy-4-(trifluoromethyl)piperidin-1-yl]pyrazine?
The InChIKey is PIPUNLWBEXTPCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F3N3O/c1-18-10(11(12,13)14)2-6-17(7-3-10)9-8-15-4-5-16-9/h4-5,8H,2-3,6-7H2,1H3.
What are the key properties of 2-[4-methoxy-4-(trifluoromethyl)piperidin-1-yl]pyrazine?
2-[4-methoxy-4-(trifluoromethyl)piperidin-1-yl]pyrazine has a molecular weight of 261.25 g/mol, XLogP of 2.02, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-methoxy-4-(trifluoromethyl)piperidin-1-yl]pyrazine is sourced from PubChem (CID 122243096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).