1-ethoxy-3-[4-[4-(trifluoromethyl)phenyl]piperazin-1-yl]propan-2-ol

C16H23F3N2O2 — CID 3825047

IUPAC1-ethoxy-3-[4-[4-(trifluoromethyl)phenyl]piperazin-1-yl]propan-2-ol
SMILESCCOCC(O)CN1CCN(c2ccc(C(F)(F)F)cc2)CC1
InChIInChI=1S/C16H23F3N2O2/c1-2-23-12-15(22)11-20-7-9-21(10-8-20)14-5-3-13(4-6-14)16(17,18)19/h3-6,15,22H,2,7-12H2,1H3
InChIKeyPAEYJIUVBZPJOG-UHFFFAOYSA-N
MW332.37 g/mol
LogP2.22
Rot. Bonds6

About 1-ethoxy-3-[4-[4-(trifluoromethyl)phenyl]piperazin-1-yl]propan-2-ol

1-ethoxy-3-[4-[4-(trifluoromethyl)phenyl]piperazin-1-yl]propan-2-ol (PubChem CID 3825047) has the molecular formula C16H23F3N2O2 and a molecular weight of 332.37 g/mol. Its IUPAC name is 1-ethoxy-3-[4-[4-(trifluoromethyl)phenyl]piperazin-1-yl]propan-2-ol.

Molecular Properties

Compound Name1-ethoxy-3-[4-[4-(trifluoromethyl)phenyl]piperazin-1-yl]propan-2-ol
PubChem CID3825047
Molecular FormulaC16H23F3N2O2
Molecular Weight332.37 g/mol
Exact Mass332.17
IUPAC Name1-ethoxy-3-[4-[4-(trifluoromethyl)phenyl]piperazin-1-yl]propan-2-ol
SMILESCCOCC(O)CN1CCN(c2ccc(C(F)(F)F)cc2)CC1
InChIInChI=1S/C16H23F3N2O2/c1-2-23-12-15(22)11-20-7-9-21(10-8-20)14-5-3-13(4-6-14)16(17,18)19/h3-6,15,22H,2,7-12H2,1H3
InChIKeyPAEYJIUVBZPJOG-UHFFFAOYSA-N
XLogP2.22
TPSA35.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.37
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-ethoxy-3-[4-[4-(trifluoromethyl)phenyl]piperazin-1-yl]propan-2-ol?
The IUPAC name of 1-ethoxy-3-[4-[4-(trifluoromethyl)phenyl]piperazin-1-yl]propan-2-ol (CID 3825047) is 1-ethoxy-3-[4-[4-(trifluoromethyl)phenyl]piperazin-1-yl]propan-2-ol.
What is the SMILES notation for 1-ethoxy-3-[4-[4-(trifluoromethyl)phenyl]piperazin-1-yl]propan-2-ol?
The canonical SMILES for 1-ethoxy-3-[4-[4-(trifluoromethyl)phenyl]piperazin-1-yl]propan-2-ol is CCOCC(O)CN1CCN(c2ccc(C(F)(F)F)cc2)CC1.
What is the InChIKey of 1-ethoxy-3-[4-[4-(trifluoromethyl)phenyl]piperazin-1-yl]propan-2-ol?
The InChIKey is PAEYJIUVBZPJOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23F3N2O2/c1-2-23-12-15(22)11-20-7-9-21(10-8-20)14-5-3-13(4-6-14)16(17,18)19/h3-6,15,22H,2,7-12H2,1H3.
What are the key properties of 1-ethoxy-3-[4-[4-(trifluoromethyl)phenyl]piperazin-1-yl]propan-2-ol?
1-ethoxy-3-[4-[4-(trifluoromethyl)phenyl]piperazin-1-yl]propan-2-ol has a molecular weight of 332.37 g/mol, XLogP of 2.22, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethoxy-3-[4-[4-(trifluoromethyl)phenyl]piperazin-1-yl]propan-2-ol is sourced from PubChem (CID 3825047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).