2-(4-prop-2-enylpiperazin-1-yl)-3-[4-(trifluoromethyl)piperidin-1-yl]pyrazine

C17H24F3N5 — CID 170162968

IUPAC2-(4-prop-2-enylpiperazin-1-yl)-3-[4-(trifluoromethyl)piperidin-1-yl]pyrazine
SMILESC=CCN1CCN(c2nccnc2N2CCC(C(F)(F)F)CC2)CC1
InChIInChI=1S/C17H24F3N5/c1-2-7-23-10-12-25(13-11-23)16-15(21-5-6-22-16)24-8-3-14(4-9-24)17(18,19)20/h2,5-6,14H,1,3-4,7-13H2
InChIKeyGNWSTXBQWXNINY-UHFFFAOYSA-N
MW355.41 g/mol
LogP2.56
Rot. Bonds4

About 2-(4-prop-2-enylpiperazin-1-yl)-3-[4-(trifluoromethyl)piperidin-1-yl]pyrazine

2-(4-prop-2-enylpiperazin-1-yl)-3-[4-(trifluoromethyl)piperidin-1-yl]pyrazine (PubChem CID 170162968) has the molecular formula C17H24F3N5 and a molecular weight of 355.41 g/mol. Its IUPAC name is 2-(4-prop-2-enylpiperazin-1-yl)-3-[4-(trifluoromethyl)piperidin-1-yl]pyrazine.

Molecular Properties

Compound Name2-(4-prop-2-enylpiperazin-1-yl)-3-[4-(trifluoromethyl)piperidin-1-yl]pyrazine
PubChem CID170162968
Molecular FormulaC17H24F3N5
Molecular Weight355.41 g/mol
Exact Mass355.20
IUPAC Name2-(4-prop-2-enylpiperazin-1-yl)-3-[4-(trifluoromethyl)piperidin-1-yl]pyrazine
SMILESC=CCN1CCN(c2nccnc2N2CCC(C(F)(F)F)CC2)CC1
InChIInChI=1S/C17H24F3N5/c1-2-7-23-10-12-25(13-11-23)16-15(21-5-6-22-16)24-8-3-14(4-9-24)17(18,19)20/h2,5-6,14H,1,3-4,7-13H2
InChIKeyGNWSTXBQWXNINY-UHFFFAOYSA-N
XLogP2.56
TPSA35.50 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.41
LogP ≤ 52.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(4-prop-2-enylpiperazin-1-yl)-3-[4-(trifluoromethyl)piperidin-1-yl]pyrazine?
The IUPAC name of 2-(4-prop-2-enylpiperazin-1-yl)-3-[4-(trifluoromethyl)piperidin-1-yl]pyrazine (CID 170162968) is 2-(4-prop-2-enylpiperazin-1-yl)-3-[4-(trifluoromethyl)piperidin-1-yl]pyrazine.
What is the SMILES notation for 2-(4-prop-2-enylpiperazin-1-yl)-3-[4-(trifluoromethyl)piperidin-1-yl]pyrazine?
The canonical SMILES for 2-(4-prop-2-enylpiperazin-1-yl)-3-[4-(trifluoromethyl)piperidin-1-yl]pyrazine is C=CCN1CCN(c2nccnc2N2CCC(C(F)(F)F)CC2)CC1.
What is the InChIKey of 2-(4-prop-2-enylpiperazin-1-yl)-3-[4-(trifluoromethyl)piperidin-1-yl]pyrazine?
The InChIKey is GNWSTXBQWXNINY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24F3N5/c1-2-7-23-10-12-25(13-11-23)16-15(21-5-6-22-16)24-8-3-14(4-9-24)17(18,19)20/h2,5-6,14H,1,3-4,7-13H2.
What are the key properties of 2-(4-prop-2-enylpiperazin-1-yl)-3-[4-(trifluoromethyl)piperidin-1-yl]pyrazine?
2-(4-prop-2-enylpiperazin-1-yl)-3-[4-(trifluoromethyl)piperidin-1-yl]pyrazine has a molecular weight of 355.41 g/mol, XLogP of 2.56, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-prop-2-enylpiperazin-1-yl)-3-[4-(trifluoromethyl)piperidin-1-yl]pyrazine is sourced from PubChem (CID 170162968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).