(3-piperazin-1-ylpyrazin-2-yl)-[4-(trifluoromethyl)phenyl]methanol

C16H17F3N4O — CID 170161751

IUPAC(3-piperazin-1-ylpyrazin-2-yl)-[4-(trifluoromethyl)phenyl]methanol
SMILESOC(c1ccc(C(F)(F)F)cc1)c1nccnc1N1CCNCC1
InChIInChI=1S/C16H17F3N4O/c17-16(18,19)12-3-1-11(2-4-12)14(24)13-15(22-6-5-21-13)23-9-7-20-8-10-23/h1-6,14,20,24H,7-10H2
InChIKeyHAJFJZBHYXRFDL-UHFFFAOYSA-N
MW338.33 g/mol
LogP1.99
Rot. Bonds3

About (3-piperazin-1-ylpyrazin-2-yl)-[4-(trifluoromethyl)phenyl]methanol

(3-piperazin-1-ylpyrazin-2-yl)-[4-(trifluoromethyl)phenyl]methanol (PubChem CID 170161751) has the molecular formula C16H17F3N4O and a molecular weight of 338.33 g/mol. Its IUPAC name is (3-piperazin-1-ylpyrazin-2-yl)-[4-(trifluoromethyl)phenyl]methanol.

Molecular Properties

Compound Name(3-piperazin-1-ylpyrazin-2-yl)-[4-(trifluoromethyl)phenyl]methanol
PubChem CID170161751
Molecular FormulaC16H17F3N4O
Molecular Weight338.33 g/mol
Exact Mass338.14
IUPAC Name(3-piperazin-1-ylpyrazin-2-yl)-[4-(trifluoromethyl)phenyl]methanol
SMILESOC(c1ccc(C(F)(F)F)cc1)c1nccnc1N1CCNCC1
InChIInChI=1S/C16H17F3N4O/c17-16(18,19)12-3-1-11(2-4-12)14(24)13-15(22-6-5-21-13)23-9-7-20-8-10-23/h1-6,14,20,24H,7-10H2
InChIKeyHAJFJZBHYXRFDL-UHFFFAOYSA-N
XLogP1.99
TPSA61.28 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.33
LogP ≤ 51.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (3-piperazin-1-ylpyrazin-2-yl)-[4-(trifluoromethyl)phenyl]methanol?
The IUPAC name of (3-piperazin-1-ylpyrazin-2-yl)-[4-(trifluoromethyl)phenyl]methanol (CID 170161751) is (3-piperazin-1-ylpyrazin-2-yl)-[4-(trifluoromethyl)phenyl]methanol.
What is the SMILES notation for (3-piperazin-1-ylpyrazin-2-yl)-[4-(trifluoromethyl)phenyl]methanol?
The canonical SMILES for (3-piperazin-1-ylpyrazin-2-yl)-[4-(trifluoromethyl)phenyl]methanol is OC(c1ccc(C(F)(F)F)cc1)c1nccnc1N1CCNCC1.
What is the InChIKey of (3-piperazin-1-ylpyrazin-2-yl)-[4-(trifluoromethyl)phenyl]methanol?
The InChIKey is HAJFJZBHYXRFDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17F3N4O/c17-16(18,19)12-3-1-11(2-4-12)14(24)13-15(22-6-5-21-13)23-9-7-20-8-10-23/h1-6,14,20,24H,7-10H2.
What are the key properties of (3-piperazin-1-ylpyrazin-2-yl)-[4-(trifluoromethyl)phenyl]methanol?
(3-piperazin-1-ylpyrazin-2-yl)-[4-(trifluoromethyl)phenyl]methanol has a molecular weight of 338.33 g/mol, XLogP of 1.99, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3-piperazin-1-ylpyrazin-2-yl)-[4-(trifluoromethyl)phenyl]methanol is sourced from PubChem (CID 170161751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).