1-[(1R)-2,2,2-trifluoro-1-(oxan-4-yl)ethyl]piperazine

C11H19F3N2O — CID 171288800

IUPAC1-[(1R)-2,2,2-trifluoro-1-(oxan-4-yl)ethyl]piperazine
SMILESFC(F)(F)[C@@H](C1CCOCC1)N1CCNCC1
InChIInChI=1S/C11H19F3N2O/c12-11(13,14)10(9-1-7-17-8-2-9)16-5-3-15-4-6-16/h9-10,15H,1-8H2/t10-/m1/s1
InChIKeyJMIDGJRWNADYTL-SNVBAGLBSA-N
MW252.28 g/mol
LogP1.25
Rot. Bonds2

About 1-[(1R)-2,2,2-trifluoro-1-(oxan-4-yl)ethyl]piperazine

1-[(1R)-2,2,2-trifluoro-1-(oxan-4-yl)ethyl]piperazine (PubChem CID 171288800) has the molecular formula C11H19F3N2O and a molecular weight of 252.28 g/mol. Its IUPAC name is 1-[(1R)-2,2,2-trifluoro-1-(oxan-4-yl)ethyl]piperazine.

Molecular Properties

Compound Name1-[(1R)-2,2,2-trifluoro-1-(oxan-4-yl)ethyl]piperazine
PubChem CID171288800
Molecular FormulaC11H19F3N2O
Molecular Weight252.28 g/mol
Exact Mass252.14
IUPAC Name1-[(1R)-2,2,2-trifluoro-1-(oxan-4-yl)ethyl]piperazine
SMILESFC(F)(F)[C@@H](C1CCOCC1)N1CCNCC1
InChIInChI=1S/C11H19F3N2O/c12-11(13,14)10(9-1-7-17-8-2-9)16-5-3-15-4-6-16/h9-10,15H,1-8H2/t10-/m1/s1
InChIKeyJMIDGJRWNADYTL-SNVBAGLBSA-N
XLogP1.25
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.28
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(1-cyclopropyl-2,2,2-trifluoroethyl)piperazine
CID 83688036
1-[(1S)-1-cyclopropyl-2,2,2-trifluoroethyl]piperazine
CID 130915818
oxan-4-yl(piperazin-1-yl)methanamine
CID 116939843
N-methyl-1-(oxan-4-yl)-1-piperazin-1-ylmethanamine
CID 116954862
1-[(R)-oxan-4-yl-[3-(trifluoromethyl)phenyl]methyl]piperazine
CID 171291306
1-[(S)-oxan-4-yl-[2-(trifluoromethoxy)phenyl]methyl]piperazine
CID 171280476
1-[(S)-[2-fluoro-3-(trifluoromethyl)phenyl]-(oxan-4-yl)methyl]piperazine
CID 171279258
1-[(R)-[3-fluoro-4-(trifluoromethyl)phenyl]-(oxan-4-yl)methyl]piperazine
CID 171292729
1-[(R)-[3-chloro-5-(trifluoromethyl)phenyl]-(oxan-4-yl)methyl]piperazine
CID 171296165
1-[(R)-oxan-4-yl-(2,3,4,5,6-pentamethylphenyl)methyl]piperazine;dihydrochloride
CID 171294989
1-[(S)-oxan-4-yl-(4-phenylphenyl)methyl]piperazine
CID 171279538
1-[(S)-[2-fluoro-5-(trifluoromethoxy)phenyl]-(oxan-4-yl)methyl]piperazine
CID 171284104

Frequently Asked Questions

What is the IUPAC name of 1-[(1R)-2,2,2-trifluoro-1-(oxan-4-yl)ethyl]piperazine?
The IUPAC name of 1-[(1R)-2,2,2-trifluoro-1-(oxan-4-yl)ethyl]piperazine (CID 171288800) is 1-[(1R)-2,2,2-trifluoro-1-(oxan-4-yl)ethyl]piperazine.
What is the SMILES notation for 1-[(1R)-2,2,2-trifluoro-1-(oxan-4-yl)ethyl]piperazine?
The canonical SMILES for 1-[(1R)-2,2,2-trifluoro-1-(oxan-4-yl)ethyl]piperazine is FC(F)(F)[C@@H](C1CCOCC1)N1CCNCC1.
What is the InChIKey of 1-[(1R)-2,2,2-trifluoro-1-(oxan-4-yl)ethyl]piperazine?
The InChIKey is JMIDGJRWNADYTL-SNVBAGLBSA-N. The full InChI is InChI=1S/C11H19F3N2O/c12-11(13,14)10(9-1-7-17-8-2-9)16-5-3-15-4-6-16/h9-10,15H,1-8H2/t10-/m1/s1.
What are the key properties of 1-[(1R)-2,2,2-trifluoro-1-(oxan-4-yl)ethyl]piperazine?
1-[(1R)-2,2,2-trifluoro-1-(oxan-4-yl)ethyl]piperazine has a molecular weight of 252.28 g/mol, XLogP of 1.25, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1R)-2,2,2-trifluoro-1-(oxan-4-yl)ethyl]piperazine is sourced from PubChem (CID 171288800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).