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

C14H21F3N4O2 — CID 3348045

IUPAC1-ethoxy-3-[4-[4-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]propan-2-ol
SMILESCCOCC(O)CN1CCN(c2nccc(C(F)(F)F)n2)CC1
InChIInChI=1S/C14H21F3N4O2/c1-2-23-10-11(22)9-20-5-7-21(8-6-20)13-18-4-3-12(19-13)14(15,16)17/h3-4,11,22H,2,5-10H2,1H3
InChIKeyXHLGPHAAWRVQJJ-UHFFFAOYSA-N
MW334.34 g/mol
LogP1.01
Rot. Bonds6

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

1-ethoxy-3-[4-[4-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]propan-2-ol (PubChem CID 3348045) has the molecular formula C14H21F3N4O2 and a molecular weight of 334.34 g/mol. Its IUPAC name is 1-ethoxy-3-[4-[4-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]propan-2-ol.

Molecular Properties

Compound Name1-ethoxy-3-[4-[4-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]propan-2-ol
PubChem CID3348045
Molecular FormulaC14H21F3N4O2
Molecular Weight334.34 g/mol
Exact Mass334.16
IUPAC Name1-ethoxy-3-[4-[4-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]propan-2-ol
SMILESCCOCC(O)CN1CCN(c2nccc(C(F)(F)F)n2)CC1
InChIInChI=1S/C14H21F3N4O2/c1-2-23-10-11(22)9-20-5-7-21(8-6-20)13-18-4-3-12(19-13)14(15,16)17/h3-4,11,22H,2,5-10H2,1H3
InChIKeyXHLGPHAAWRVQJJ-UHFFFAOYSA-N
XLogP1.01
TPSA61.72 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.34
LogP ≤ 51.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-ethoxy-3-[4-[4-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]propan-2-ol?
The IUPAC name of 1-ethoxy-3-[4-[4-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]propan-2-ol (CID 3348045) is 1-ethoxy-3-[4-[4-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]propan-2-ol.
What is the SMILES notation for 1-ethoxy-3-[4-[4-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]propan-2-ol?
The canonical SMILES for 1-ethoxy-3-[4-[4-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]propan-2-ol is CCOCC(O)CN1CCN(c2nccc(C(F)(F)F)n2)CC1.
What is the InChIKey of 1-ethoxy-3-[4-[4-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]propan-2-ol?
The InChIKey is XHLGPHAAWRVQJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21F3N4O2/c1-2-23-10-11(22)9-20-5-7-21(8-6-20)13-18-4-3-12(19-13)14(15,16)17/h3-4,11,22H,2,5-10H2,1H3.
What are the key properties of 1-ethoxy-3-[4-[4-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]propan-2-ol?
1-ethoxy-3-[4-[4-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]propan-2-ol has a molecular weight of 334.34 g/mol, XLogP of 1.01, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethoxy-3-[4-[4-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]propan-2-ol is sourced from PubChem (CID 3348045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).