1-(oxolan-3-ylmethyl)-2-(trifluoromethyl)piperazine

C10H17F3N2O — CID 115101256

IUPAC1-(oxolan-3-ylmethyl)-2-(trifluoromethyl)piperazine
SMILESFC(F)(F)C1CNCCN1CC1CCOC1
InChIInChI=1S/C10H17F3N2O/c11-10(12,13)9-5-14-2-3-15(9)6-8-1-4-16-7-8/h8-9,14H,1-7H2
InChIKeyZGWXWCHRRKZTTE-UHFFFAOYSA-N
MW238.25 g/mol
LogP0.86
Rot. Bonds2

About 1-(oxolan-3-ylmethyl)-2-(trifluoromethyl)piperazine

1-(oxolan-3-ylmethyl)-2-(trifluoromethyl)piperazine (PubChem CID 115101256) has the molecular formula C10H17F3N2O and a molecular weight of 238.25 g/mol. Its IUPAC name is 1-(oxolan-3-ylmethyl)-2-(trifluoromethyl)piperazine.

Molecular Properties

Compound Name1-(oxolan-3-ylmethyl)-2-(trifluoromethyl)piperazine
PubChem CID115101256
Molecular FormulaC10H17F3N2O
Molecular Weight238.25 g/mol
Exact Mass238.13
IUPAC Name1-(oxolan-3-ylmethyl)-2-(trifluoromethyl)piperazine
SMILESFC(F)(F)C1CNCCN1CC1CCOC1
InChIInChI=1S/C10H17F3N2O/c11-10(12,13)9-5-14-2-3-15(9)6-8-1-4-16-7-8/h8-9,14H,1-7H2
InChIKeyZGWXWCHRRKZTTE-UHFFFAOYSA-N
XLogP0.86
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.25
LogP ≤ 50.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(Oxolan-3-yl)methyl]piperazine
CID 13742285
N-[2,2-difluoro-3-[4-(4-propan-2-ylpiperazin-1-yl)butoxy]propyl]-2-methylpropan-2-amine
CID 134488844
2,2-difluoro-N-propan-2-yl-3-[4-(4-propan-2-ylpiperazin-1-yl)butoxy]propan-1-amine
CID 139572056
2,2-difluoro-N-methyl-3-(4-piperazin-1-ylbutoxy)propan-1-amine;ethane
CID 142386155
2,2-difluoro-3-[4-(4-methylpiperazin-1-yl)butoxy]-N-propan-2-ylpropan-1-amine;molecular hydrogen
CID 142596972
2,2-Difluoro-3-(4-piperazin-1-ylbutoxy)propan-1-amine
CID 163623639
(2R)-2-(difluoromethyl)-1-(oxan-4-ylmethyl)piperazine
CID 165128236
4-[ethoxy(difluoro)methyl]-N-methylpyrrolidin-3-amine
CID 166796955
2-(Oxolan-3-yl)-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethanamine
CID 43362683
N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]oxan-4-amine
CID 54927242
N-(oxolan-3-ylmethyl)-1-(2,2,2-trifluoroethyl)piperidin-4-amine
CID 54931718
1-N,1-N,3-trimethyl-2-N-[3-(2,2,2-trifluoroethoxy)propyl]butane-1,2-diamine
CID 54961716

Frequently Asked Questions

What is the IUPAC name of 1-(oxolan-3-ylmethyl)-2-(trifluoromethyl)piperazine?
The IUPAC name of 1-(oxolan-3-ylmethyl)-2-(trifluoromethyl)piperazine (CID 115101256) is 1-(oxolan-3-ylmethyl)-2-(trifluoromethyl)piperazine.
What is the SMILES notation for 1-(oxolan-3-ylmethyl)-2-(trifluoromethyl)piperazine?
The canonical SMILES for 1-(oxolan-3-ylmethyl)-2-(trifluoromethyl)piperazine is FC(F)(F)C1CNCCN1CC1CCOC1.
What is the InChIKey of 1-(oxolan-3-ylmethyl)-2-(trifluoromethyl)piperazine?
The InChIKey is ZGWXWCHRRKZTTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17F3N2O/c11-10(12,13)9-5-14-2-3-15(9)6-8-1-4-16-7-8/h8-9,14H,1-7H2.
What are the key properties of 1-(oxolan-3-ylmethyl)-2-(trifluoromethyl)piperazine?
1-(oxolan-3-ylmethyl)-2-(trifluoromethyl)piperazine has a molecular weight of 238.25 g/mol, XLogP of 0.86, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(oxolan-3-ylmethyl)-2-(trifluoromethyl)piperazine is sourced from PubChem (CID 115101256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).