ethoxy-[1-[6-(4,4,4-trifluorobutyl)pyrazin-2-yl]piperidin-4-yl]methanol

C16H24F3N3O2 — CID 168975038

IUPACethoxy-[1-[6-(4,4,4-trifluorobutyl)pyrazin-2-yl]piperidin-4-yl]methanol
SMILESCCOC(O)C1CCN(c2cncc(CCCC(F)(F)F)n2)CC1
InChIInChI=1S/C16H24F3N3O2/c1-2-24-15(23)12-5-8-22(9-6-12)14-11-20-10-13(21-14)4-3-7-16(17,18)19/h10-12,15,23H,2-9H2,1H3
InChIKeyGOGRZBGYVPGPPB-UHFFFAOYSA-N
MW347.38 g/mol
LogP2.93
Rot. Bonds7

About ethoxy-[1-[6-(4,4,4-trifluorobutyl)pyrazin-2-yl]piperidin-4-yl]methanol

ethoxy-[1-[6-(4,4,4-trifluorobutyl)pyrazin-2-yl]piperidin-4-yl]methanol (PubChem CID 168975038) has the molecular formula C16H24F3N3O2 and a molecular weight of 347.38 g/mol. Its IUPAC name is ethoxy-[1-[6-(4,4,4-trifluorobutyl)pyrazin-2-yl]piperidin-4-yl]methanol.

Molecular Properties

Compound Nameethoxy-[1-[6-(4,4,4-trifluorobutyl)pyrazin-2-yl]piperidin-4-yl]methanol
PubChem CID168975038
Molecular FormulaC16H24F3N3O2
Molecular Weight347.38 g/mol
Exact Mass347.18
IUPAC Nameethoxy-[1-[6-(4,4,4-trifluorobutyl)pyrazin-2-yl]piperidin-4-yl]methanol
SMILESCCOC(O)C1CCN(c2cncc(CCCC(F)(F)F)n2)CC1
InChIInChI=1S/C16H24F3N3O2/c1-2-24-15(23)12-5-8-22(9-6-12)14-11-20-10-13(21-14)4-3-7-16(17,18)19/h10-12,15,23H,2-9H2,1H3
InChIKeyGOGRZBGYVPGPPB-UHFFFAOYSA-N
XLogP2.93
TPSA58.48 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.38
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of ethoxy-[1-[6-(4,4,4-trifluorobutyl)pyrazin-2-yl]piperidin-4-yl]methanol?
The IUPAC name of ethoxy-[1-[6-(4,4,4-trifluorobutyl)pyrazin-2-yl]piperidin-4-yl]methanol (CID 168975038) is ethoxy-[1-[6-(4,4,4-trifluorobutyl)pyrazin-2-yl]piperidin-4-yl]methanol.
What is the SMILES notation for ethoxy-[1-[6-(4,4,4-trifluorobutyl)pyrazin-2-yl]piperidin-4-yl]methanol?
The canonical SMILES for ethoxy-[1-[6-(4,4,4-trifluorobutyl)pyrazin-2-yl]piperidin-4-yl]methanol is CCOC(O)C1CCN(c2cncc(CCCC(F)(F)F)n2)CC1.
What is the InChIKey of ethoxy-[1-[6-(4,4,4-trifluorobutyl)pyrazin-2-yl]piperidin-4-yl]methanol?
The InChIKey is GOGRZBGYVPGPPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24F3N3O2/c1-2-24-15(23)12-5-8-22(9-6-12)14-11-20-10-13(21-14)4-3-7-16(17,18)19/h10-12,15,23H,2-9H2,1H3.
What are the key properties of ethoxy-[1-[6-(4,4,4-trifluorobutyl)pyrazin-2-yl]piperidin-4-yl]methanol?
ethoxy-[1-[6-(4,4,4-trifluorobutyl)pyrazin-2-yl]piperidin-4-yl]methanol has a molecular weight of 347.38 g/mol, XLogP of 2.93, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethoxy-[1-[6-(4,4,4-trifluorobutyl)pyrazin-2-yl]piperidin-4-yl]methanol is sourced from PubChem (CID 168975038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).