1-(2-methoxyethyl)-4-[3-methyl-5-(trifluoromethyl)phenyl]piperazine

C15H21F3N2O — CID 58366841

IUPAC1-(2-methoxyethyl)-4-[3-methyl-5-(trifluoromethyl)phenyl]piperazine
SMILESCOCCN1CCN(c2cc(C)cc(C(F)(F)F)c2)CC1
InChIInChI=1S/C15H21F3N2O/c1-12-9-13(15(16,17)18)11-14(10-12)20-5-3-19(4-6-20)7-8-21-2/h9-11H,3-8H2,1-2H3
InChIKeyRWEYNOKRNHKNFU-UHFFFAOYSA-N
MW302.34 g/mol
LogP2.78
Rot. Bonds4

About 1-(2-methoxyethyl)-4-[3-methyl-5-(trifluoromethyl)phenyl]piperazine

1-(2-methoxyethyl)-4-[3-methyl-5-(trifluoromethyl)phenyl]piperazine (PubChem CID 58366841) has the molecular formula C15H21F3N2O and a molecular weight of 302.34 g/mol. Its IUPAC name is 1-(2-methoxyethyl)-4-[3-methyl-5-(trifluoromethyl)phenyl]piperazine.

Molecular Properties

Compound Name1-(2-methoxyethyl)-4-[3-methyl-5-(trifluoromethyl)phenyl]piperazine
PubChem CID58366841
Molecular FormulaC15H21F3N2O
Molecular Weight302.34 g/mol
Exact Mass302.16
IUPAC Name1-(2-methoxyethyl)-4-[3-methyl-5-(trifluoromethyl)phenyl]piperazine
SMILESCOCCN1CCN(c2cc(C)cc(C(F)(F)F)c2)CC1
InChIInChI=1S/C15H21F3N2O/c1-12-9-13(15(16,17)18)11-14(10-12)20-5-3-19(4-6-20)7-8-21-2/h9-11H,3-8H2,1-2H3
InChIKeyRWEYNOKRNHKNFU-UHFFFAOYSA-N
XLogP2.78
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.34
LogP ≤ 52.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-Amino-4-(trifluoromethyl)phenyl)morpholine
CID 136624
4-(Morpholin-4-yl)-2-(trifluoromethyl)aniline
CID 822225
1-Piperazineethanol, 4-(3-(trifluoromethyl)phenyl)-, hydrochloride (1:1)
CID 3041684
4-(3-(Trifluoromethyl)phenyl)-1-piperazineethanol
CID 217994
[4-(3,5-Dimethyl-phenyl)-piperazin-1-yl]-morpholin-4-yl-methanone
CID 656229
N-(2-methoxyethyl)-4-[3-(trifluoromethyl)phenyl]piperazine-1-carbothioamide
CID 3192047
N,N-dimethyl-4-(2-morpholin-4-ylethyl)aniline
CID 3830898
2-Methoxy-1-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethanone;hydrochloride
CID 16192820
N-Ethyl-N-(2-methoxyethyl)-m-toluidine
CID 92532
1-Piperazineethanol, 4-(3-(trifluoromethyl)phenyl)-, acetate (ester), monohydrochloride
CID 3043398
(3-Morpholinophenyl)methylamine
CID 2795550
Benzenamine, N-(2-ethoxyethyl)-N-ethyl-3-methyl-
CID 15375291

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyethyl)-4-[3-methyl-5-(trifluoromethyl)phenyl]piperazine?
The IUPAC name of 1-(2-methoxyethyl)-4-[3-methyl-5-(trifluoromethyl)phenyl]piperazine (CID 58366841) is 1-(2-methoxyethyl)-4-[3-methyl-5-(trifluoromethyl)phenyl]piperazine.
What is the SMILES notation for 1-(2-methoxyethyl)-4-[3-methyl-5-(trifluoromethyl)phenyl]piperazine?
The canonical SMILES for 1-(2-methoxyethyl)-4-[3-methyl-5-(trifluoromethyl)phenyl]piperazine is COCCN1CCN(c2cc(C)cc(C(F)(F)F)c2)CC1.
What is the InChIKey of 1-(2-methoxyethyl)-4-[3-methyl-5-(trifluoromethyl)phenyl]piperazine?
The InChIKey is RWEYNOKRNHKNFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21F3N2O/c1-12-9-13(15(16,17)18)11-14(10-12)20-5-3-19(4-6-20)7-8-21-2/h9-11H,3-8H2,1-2H3.
What are the key properties of 1-(2-methoxyethyl)-4-[3-methyl-5-(trifluoromethyl)phenyl]piperazine?
1-(2-methoxyethyl)-4-[3-methyl-5-(trifluoromethyl)phenyl]piperazine has a molecular weight of 302.34 g/mol, XLogP of 2.78, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyethyl)-4-[3-methyl-5-(trifluoromethyl)phenyl]piperazine is sourced from PubChem (CID 58366841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).