1-[(R)-oxan-4-yl-[3-(trifluoromethyl)phenyl]methyl]piperazine

C17H23F3N2O — CID 171291306

IUPAC1-[(R)-oxan-4-yl-[3-(trifluoromethyl)phenyl]methyl]piperazine
SMILESFC(F)(F)c1cccc([C@@H](C2CCOCC2)N2CCNCC2)c1
InChIInChI=1S/C17H23F3N2O/c18-17(19,20)15-3-1-2-14(12-15)16(13-4-10-23-11-5-13)22-8-6-21-7-9-22/h1-3,12-13,16,21H,4-11H2/t16-/m1/s1
InChIKeyAMAZEEVMSNCDGU-MRXNPFEDSA-N
MW328.38 g/mol
LogP3.08
Rot. Bonds3

About 1-[(R)-oxan-4-yl-[3-(trifluoromethyl)phenyl]methyl]piperazine

1-[(R)-oxan-4-yl-[3-(trifluoromethyl)phenyl]methyl]piperazine (PubChem CID 171291306) has the molecular formula C17H23F3N2O and a molecular weight of 328.38 g/mol. Its IUPAC name is 1-[(R)-oxan-4-yl-[3-(trifluoromethyl)phenyl]methyl]piperazine.

Molecular Properties

Compound Name1-[(R)-oxan-4-yl-[3-(trifluoromethyl)phenyl]methyl]piperazine
PubChem CID171291306
Molecular FormulaC17H23F3N2O
Molecular Weight328.38 g/mol
Exact Mass328.18
IUPAC Name1-[(R)-oxan-4-yl-[3-(trifluoromethyl)phenyl]methyl]piperazine
SMILESFC(F)(F)c1cccc([C@@H](C2CCOCC2)N2CCNCC2)c1
InChIInChI=1S/C17H23F3N2O/c18-17(19,20)15-3-1-2-14(12-15)16(13-4-10-23-11-5-13)22-8-6-21-7-9-22/h1-3,12-13,16,21H,4-11H2/t16-/m1/s1
InChIKeyAMAZEEVMSNCDGU-MRXNPFEDSA-N
XLogP3.08
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.38
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(S)-cyclobutyl-[3-(trifluoromethyl)phenyl]methyl]piperazine;hydrochloride
CID 171179871
1-[(R)-[3-chloro-5-(trifluoromethyl)phenyl]-(oxan-4-yl)methyl]piperazine
CID 171296165
1-[(S)-oxan-4-yl-[3-(1,1,2,2-tetrafluoroethoxy)phenyl]methyl]piperazine;dihydrochloride
CID 171279633
3-[(S)-oxan-4-yl(piperazin-1-yl)methyl]phenol;dihydrochloride
CID 171272818
1-[(R)-[3-fluoro-4-(trifluoromethyl)phenyl]-(oxan-4-yl)methyl]piperazine
CID 171292729
1-[(S)-[3-(difluoromethoxy)phenyl]-(oxan-4-yl)methyl]piperazine;dihydrochloride
CID 171278228
3-[(R)-oxan-4-yl(piperazin-1-yl)methyl]benzonitrile;dihydrochloride
CID 171287621
1-[(R)-oxan-4-yl-(3-phenoxyphenyl)methyl]piperazine
CID 171286975
1-[(S)-[2-fluoro-3-(trifluoromethyl)phenyl]-(oxan-4-yl)methyl]piperazine
CID 171279258
1-[(S)-[3,5-bis(trifluoromethyl)phenyl]-cyclopentylmethyl]piperazine;hydrochloride
CID 171162869
1-[(1S)-1-[3-(trifluoromethyl)phenyl]ethyl]piperazine
CID 92754709
(2R)-1-[cyclopropyl-[3-(trifluoromethyl)phenyl]methyl]-2-methylpiperazine
CID 68931957

Frequently Asked Questions

What is the IUPAC name of 1-[(R)-oxan-4-yl-[3-(trifluoromethyl)phenyl]methyl]piperazine?
The IUPAC name of 1-[(R)-oxan-4-yl-[3-(trifluoromethyl)phenyl]methyl]piperazine (CID 171291306) is 1-[(R)-oxan-4-yl-[3-(trifluoromethyl)phenyl]methyl]piperazine.
What is the SMILES notation for 1-[(R)-oxan-4-yl-[3-(trifluoromethyl)phenyl]methyl]piperazine?
The canonical SMILES for 1-[(R)-oxan-4-yl-[3-(trifluoromethyl)phenyl]methyl]piperazine is FC(F)(F)c1cccc([C@@H](C2CCOCC2)N2CCNCC2)c1.
What is the InChIKey of 1-[(R)-oxan-4-yl-[3-(trifluoromethyl)phenyl]methyl]piperazine?
The InChIKey is AMAZEEVMSNCDGU-MRXNPFEDSA-N. The full InChI is InChI=1S/C17H23F3N2O/c18-17(19,20)15-3-1-2-14(12-15)16(13-4-10-23-11-5-13)22-8-6-21-7-9-22/h1-3,12-13,16,21H,4-11H2/t16-/m1/s1.
What are the key properties of 1-[(R)-oxan-4-yl-[3-(trifluoromethyl)phenyl]methyl]piperazine?
1-[(R)-oxan-4-yl-[3-(trifluoromethyl)phenyl]methyl]piperazine has a molecular weight of 328.38 g/mol, XLogP of 3.08, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(R)-oxan-4-yl-[3-(trifluoromethyl)phenyl]methyl]piperazine is sourced from PubChem (CID 171291306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).