1-methyl-4-[[(2S,5R)-5-[[4-(trifluoromethoxy)phenyl]methyl]oxolan-2-yl]methyl]piperazine

C18H25F3N2O2 — CID 133134797

IUPAC1-methyl-4-[[(2S,5R)-5-[[4-(trifluoromethoxy)phenyl]methyl]oxolan-2-yl]methyl]piperazine
SMILESCN1CCN(C[C@@H]2CC[C@H](Cc3ccc(OC(F)(F)F)cc3)O2)CC1
InChIInChI=1S/C18H25F3N2O2/c1-22-8-10-23(11-9-22)13-17-7-6-16(24-17)12-14-2-4-15(5-3-14)25-18(19,20)21/h2-5,16-17H,6-13H2,1H3/t16-,17+/m1/s1
InChIKeyLGFPTNCGTGEFQA-SJORKVTESA-N
MW358.40 g/mol
LogP2.92
Rot. Bonds5

About 1-methyl-4-[[(2S,5R)-5-[[4-(trifluoromethoxy)phenyl]methyl]oxolan-2-yl]methyl]piperazine

1-methyl-4-[[(2S,5R)-5-[[4-(trifluoromethoxy)phenyl]methyl]oxolan-2-yl]methyl]piperazine (PubChem CID 133134797) has the molecular formula C18H25F3N2O2 and a molecular weight of 358.40 g/mol. Its IUPAC name is 1-methyl-4-[[(2S,5R)-5-[[4-(trifluoromethoxy)phenyl]methyl]oxolan-2-yl]methyl]piperazine.

Molecular Properties

Compound Name1-methyl-4-[[(2S,5R)-5-[[4-(trifluoromethoxy)phenyl]methyl]oxolan-2-yl]methyl]piperazine
PubChem CID133134797
Molecular FormulaC18H25F3N2O2
Molecular Weight358.40 g/mol
Exact Mass358.19
IUPAC Name1-methyl-4-[[(2S,5R)-5-[[4-(trifluoromethoxy)phenyl]methyl]oxolan-2-yl]methyl]piperazine
SMILESCN1CCN(C[C@@H]2CC[C@H](Cc3ccc(OC(F)(F)F)cc3)O2)CC1
InChIInChI=1S/C18H25F3N2O2/c1-22-8-10-23(11-9-22)13-17-7-6-16(24-17)12-14-2-4-15(5-3-14)25-18(19,20)21/h2-5,16-17H,6-13H2,1H3/t16-,17+/m1/s1
InChIKeyLGFPTNCGTGEFQA-SJORKVTESA-N
XLogP2.92
TPSA24.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.40
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-methyl-4-[[(2S,5R)-5-[[4-(trifluoromethoxy)phenyl]methyl]oxolan-2-yl]methyl]piperazine with MolForge

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Related Compounds

1-methyl-N-[[4-(trifluoromethoxy)phenyl]methyl]piperidin-4-amine
CID 43216489
4-methyl-N-[[4-(trifluoromethoxy)phenyl]methyl]piperazin-1-amine
CID 83008958
2-[3-(4-methylpiperazin-1-yl)propyl]-4-(trifluoromethoxy)aniline
CID 170863398
1-(2-methylsulfonylethyl)-3-[[4-(trifluoromethoxy)phenyl]methyl]azetidine
CID 167819810
1-[2-[2-bromo-4-(trifluoromethoxy)phenoxy]ethyl]-4-methylpiperazine
CID 171115656
2-(4-methylpiperazin-1-yl)-4-[4-[[4-(trifluoromethoxy)phenyl]methyl]piperazin-1-yl]pyrimidine
CID 166605484
1-[3-[2-bromo-5-(trifluoromethoxy)phenoxy]propyl]-4-methylpiperazine
CID 171115502
4-ethyl-1-[[4-(trifluoromethoxy)phenyl]methyl]piperidine
CID 118331263
N-[(2R)-5-methyl-8-[(4-methylpiperazin-1-yl)methyl]-1,2,3,4-tetrahydronaphthalen-2-yl]-4-(trifluoromethoxy)benzamide
CID 25061082
[1-[2-(4-methoxyphenyl)ethyl]piperidin-4-yl]-bis[4-(trifluoromethoxy)phenyl]methanol
CID 11837570
(3R)-3-[4-[[4-(trifluoromethoxy)phenyl]methyl]piperazin-1-yl]oxolan-2-one
CID 95152890
1-[(2R)-4-methylmorpholin-2-yl]-N-[[4-(trifluoromethoxy)phenyl]methyl]methanamine
CID 95275069

Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-[[(2S,5R)-5-[[4-(trifluoromethoxy)phenyl]methyl]oxolan-2-yl]methyl]piperazine?
The IUPAC name of 1-methyl-4-[[(2S,5R)-5-[[4-(trifluoromethoxy)phenyl]methyl]oxolan-2-yl]methyl]piperazine (CID 133134797) is 1-methyl-4-[[(2S,5R)-5-[[4-(trifluoromethoxy)phenyl]methyl]oxolan-2-yl]methyl]piperazine.
What is the SMILES notation for 1-methyl-4-[[(2S,5R)-5-[[4-(trifluoromethoxy)phenyl]methyl]oxolan-2-yl]methyl]piperazine?
The canonical SMILES for 1-methyl-4-[[(2S,5R)-5-[[4-(trifluoromethoxy)phenyl]methyl]oxolan-2-yl]methyl]piperazine is CN1CCN(C[C@@H]2CC[C@H](Cc3ccc(OC(F)(F)F)cc3)O2)CC1.
What is the InChIKey of 1-methyl-4-[[(2S,5R)-5-[[4-(trifluoromethoxy)phenyl]methyl]oxolan-2-yl]methyl]piperazine?
The InChIKey is LGFPTNCGTGEFQA-SJORKVTESA-N. The full InChI is InChI=1S/C18H25F3N2O2/c1-22-8-10-23(11-9-22)13-17-7-6-16(24-17)12-14-2-4-15(5-3-14)25-18(19,20)21/h2-5,16-17H,6-13H2,1H3/t16-,17+/m1/s1.
What are the key properties of 1-methyl-4-[[(2S,5R)-5-[[4-(trifluoromethoxy)phenyl]methyl]oxolan-2-yl]methyl]piperazine?
1-methyl-4-[[(2S,5R)-5-[[4-(trifluoromethoxy)phenyl]methyl]oxolan-2-yl]methyl]piperazine has a molecular weight of 358.40 g/mol, XLogP of 2.92, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-[[(2S,5R)-5-[[4-(trifluoromethoxy)phenyl]methyl]oxolan-2-yl]methyl]piperazine is sourced from PubChem (CID 133134797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).