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

C17H21F3N4O3 — CID 3852420

IUPAC1-(furan-2-ylmethoxy)-3-[4-[4-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]propan-2-ol
SMILESOC(COCc1ccco1)CN1CCN(c2nccc(C(F)(F)F)n2)CC1
InChIInChI=1S/C17H21F3N4O3/c18-17(19,20)15-3-4-21-16(22-15)24-7-5-23(6-8-24)10-13(25)11-26-12-14-2-1-9-27-14/h1-4,9,13,25H,5-8,10-12H2
InChIKeyGIVNQADUKAQYQP-UHFFFAOYSA-N
MW386.37 g/mol
LogP1.79
Rot. Bonds7

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

1-(furan-2-ylmethoxy)-3-[4-[4-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]propan-2-ol (PubChem CID 3852420) has the molecular formula C17H21F3N4O3 and a molecular weight of 386.37 g/mol. Its IUPAC name is 1-(furan-2-ylmethoxy)-3-[4-[4-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]propan-2-ol.

Molecular Properties

Compound Name1-(furan-2-ylmethoxy)-3-[4-[4-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]propan-2-ol
PubChem CID3852420
Molecular FormulaC17H21F3N4O3
Molecular Weight386.37 g/mol
Exact Mass386.16
IUPAC Name1-(furan-2-ylmethoxy)-3-[4-[4-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]propan-2-ol
SMILESOC(COCc1ccco1)CN1CCN(c2nccc(C(F)(F)F)n2)CC1
InChIInChI=1S/C17H21F3N4O3/c18-17(19,20)15-3-4-21-16(22-15)24-7-5-23(6-8-24)10-13(25)11-26-12-14-2-1-9-27-14/h1-4,9,13,25H,5-8,10-12H2
InChIKeyGIVNQADUKAQYQP-UHFFFAOYSA-N
XLogP1.79
TPSA74.86 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.37
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-(furan-2-ylmethoxy)-3-[4-[4-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]propan-2-ol?
The IUPAC name of 1-(furan-2-ylmethoxy)-3-[4-[4-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]propan-2-ol (CID 3852420) is 1-(furan-2-ylmethoxy)-3-[4-[4-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]propan-2-ol.
What is the SMILES notation for 1-(furan-2-ylmethoxy)-3-[4-[4-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]propan-2-ol?
The canonical SMILES for 1-(furan-2-ylmethoxy)-3-[4-[4-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]propan-2-ol is OC(COCc1ccco1)CN1CCN(c2nccc(C(F)(F)F)n2)CC1.
What is the InChIKey of 1-(furan-2-ylmethoxy)-3-[4-[4-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]propan-2-ol?
The InChIKey is GIVNQADUKAQYQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21F3N4O3/c18-17(19,20)15-3-4-21-16(22-15)24-7-5-23(6-8-24)10-13(25)11-26-12-14-2-1-9-27-14/h1-4,9,13,25H,5-8,10-12H2.
What are the key properties of 1-(furan-2-ylmethoxy)-3-[4-[4-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]propan-2-ol?
1-(furan-2-ylmethoxy)-3-[4-[4-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]propan-2-ol has a molecular weight of 386.37 g/mol, XLogP of 1.79, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(furan-2-ylmethoxy)-3-[4-[4-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]propan-2-ol is sourced from PubChem (CID 3852420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).