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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Related Compounds

1-(2-methylphenoxy)-3-[4-[4-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]propan-2-ol
CID 3583341
(2R)-1-(furan-2-ylmethoxy)-3-[4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]propan-2-ol
CID 95313186
(2S)-1-(furan-2-ylmethoxy)-3-pyrrolidin-1-ylpropan-2-ol
CID 942774
1-(furan-2-ylmethoxy)-3-pyrrolidin-1-ylpropan-2-ol
CID 2771920
4-[4-[3-(furan-2-ylmethoxy)-2-hydroxypropyl]piperazin-1-yl]phenol
CID 3744667
1-[4-(4-chlorophenyl)piperazin-1-yl]-3-(furan-2-ylmethoxy)propan-2-ol
CID 3681676
1-phenylsulfanyl-3-[4-[4-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]propan-2-ol
CID 2795663
1-(8-azaspiro[4.5]decan-8-yl)-3-(furan-2-ylmethoxy)propan-2-ol
CID 111437430
1-(furan-2-ylmethoxy)-3-[4-(1-hydroxyethyl)piperidin-1-yl]propan-2-ol
CID 111116661
(2S)-1-(furan-2-ylmethoxy)-3-[4-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazin-1-yl]propan-2-ol
CID 95271858
1-(furan-2-ylmethoxy)-3-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]propan-2-ol
CID 47005306
1-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-3-(furan-2-ylmethoxy)propan-2-ol;oxalic acid
CID 15945140

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).