2-propan-2-yloxy-6-[4-(1,1,1-trifluoropropan-2-yl)piperazin-1-yl]pyrazine

C14H21F3N4O — CID 133485480

IUPAC2-propan-2-yloxy-6-[4-(1,1,1-trifluoropropan-2-yl)piperazin-1-yl]pyrazine
SMILESCC(C)Oc1cncc(N2CCN(C(C)C(F)(F)F)CC2)n1
InChIInChI=1S/C14H21F3N4O/c1-10(2)22-13-9-18-8-12(19-13)21-6-4-20(5-7-21)11(3)14(15,16)17/h8-11H,4-7H2,1-3H3
InChIKeyTYYOARFUHIVVBW-UHFFFAOYSA-N
MW318.34 g/mol
LogP2.34
Rot. Bonds4

About 2-propan-2-yloxy-6-[4-(1,1,1-trifluoropropan-2-yl)piperazin-1-yl]pyrazine

2-propan-2-yloxy-6-[4-(1,1,1-trifluoropropan-2-yl)piperazin-1-yl]pyrazine (PubChem CID 133485480) has the molecular formula C14H21F3N4O and a molecular weight of 318.34 g/mol. Its IUPAC name is 2-propan-2-yloxy-6-[4-(1,1,1-trifluoropropan-2-yl)piperazin-1-yl]pyrazine.

Molecular Properties

Compound Name2-propan-2-yloxy-6-[4-(1,1,1-trifluoropropan-2-yl)piperazin-1-yl]pyrazine
PubChem CID133485480
Molecular FormulaC14H21F3N4O
Molecular Weight318.34 g/mol
Exact Mass318.17
IUPAC Name2-propan-2-yloxy-6-[4-(1,1,1-trifluoropropan-2-yl)piperazin-1-yl]pyrazine
SMILESCC(C)Oc1cncc(N2CCN(C(C)C(F)(F)F)CC2)n1
InChIInChI=1S/C14H21F3N4O/c1-10(2)22-13-9-18-8-12(19-13)21-6-4-20(5-7-21)11(3)14(15,16)17/h8-11H,4-7H2,1-3H3
InChIKeyTYYOARFUHIVVBW-UHFFFAOYSA-N
XLogP2.34
TPSA41.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.34
LogP ≤ 52.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-propan-2-yloxy-6-[4-(1,1,1-trifluoropropan-2-yl)piperazin-1-yl]pyrazine?
The IUPAC name of 2-propan-2-yloxy-6-[4-(1,1,1-trifluoropropan-2-yl)piperazin-1-yl]pyrazine (CID 133485480) is 2-propan-2-yloxy-6-[4-(1,1,1-trifluoropropan-2-yl)piperazin-1-yl]pyrazine.
What is the SMILES notation for 2-propan-2-yloxy-6-[4-(1,1,1-trifluoropropan-2-yl)piperazin-1-yl]pyrazine?
The canonical SMILES for 2-propan-2-yloxy-6-[4-(1,1,1-trifluoropropan-2-yl)piperazin-1-yl]pyrazine is CC(C)Oc1cncc(N2CCN(C(C)C(F)(F)F)CC2)n1.
What is the InChIKey of 2-propan-2-yloxy-6-[4-(1,1,1-trifluoropropan-2-yl)piperazin-1-yl]pyrazine?
The InChIKey is TYYOARFUHIVVBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21F3N4O/c1-10(2)22-13-9-18-8-12(19-13)21-6-4-20(5-7-21)11(3)14(15,16)17/h8-11H,4-7H2,1-3H3.
What are the key properties of 2-propan-2-yloxy-6-[4-(1,1,1-trifluoropropan-2-yl)piperazin-1-yl]pyrazine?
2-propan-2-yloxy-6-[4-(1,1,1-trifluoropropan-2-yl)piperazin-1-yl]pyrazine has a molecular weight of 318.34 g/mol, XLogP of 2.34, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propan-2-yloxy-6-[4-(1,1,1-trifluoropropan-2-yl)piperazin-1-yl]pyrazine is sourced from PubChem (CID 133485480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).