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

C14H19F3N2 — CID 67531988

IUPAC1-ethyl-4-[2-methyl-3-(trifluoromethyl)phenyl]piperazine
SMILESCCN1CCN(c2cccc(C(F)(F)F)c2C)CC1
InChIInChI=1S/C14H19F3N2/c1-3-18-7-9-19(10-8-18)13-6-4-5-12(11(13)2)14(15,16)17/h4-6H,3,7-10H2,1-2H3
InChIKeyCFSGRVAYAFCNIL-UHFFFAOYSA-N
MW272.31 g/mol
LogP3.16
Rot. Bonds2

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

1-ethyl-4-[2-methyl-3-(trifluoromethyl)phenyl]piperazine (PubChem CID 67531988) has the molecular formula C14H19F3N2 and a molecular weight of 272.31 g/mol. Its IUPAC name is 1-ethyl-4-[2-methyl-3-(trifluoromethyl)phenyl]piperazine.

Molecular Properties

Compound Name1-ethyl-4-[2-methyl-3-(trifluoromethyl)phenyl]piperazine
PubChem CID67531988
Molecular FormulaC14H19F3N2
Molecular Weight272.31 g/mol
Exact Mass272.15
IUPAC Name1-ethyl-4-[2-methyl-3-(trifluoromethyl)phenyl]piperazine
SMILESCCN1CCN(c2cccc(C(F)(F)F)c2C)CC1
InChIInChI=1S/C14H19F3N2/c1-3-18-7-9-19(10-8-18)13-6-4-5-12(11(13)2)14(15,16)17/h4-6H,3,7-10H2,1-2H3
InChIKeyCFSGRVAYAFCNIL-UHFFFAOYSA-N
XLogP3.16
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.31
LogP ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-4-[2-methyl-3-(trifluoromethyl)phenyl]piperazine?
The IUPAC name of 1-ethyl-4-[2-methyl-3-(trifluoromethyl)phenyl]piperazine (CID 67531988) is 1-ethyl-4-[2-methyl-3-(trifluoromethyl)phenyl]piperazine.
What is the SMILES notation for 1-ethyl-4-[2-methyl-3-(trifluoromethyl)phenyl]piperazine?
The canonical SMILES for 1-ethyl-4-[2-methyl-3-(trifluoromethyl)phenyl]piperazine is CCN1CCN(c2cccc(C(F)(F)F)c2C)CC1.
What is the InChIKey of 1-ethyl-4-[2-methyl-3-(trifluoromethyl)phenyl]piperazine?
The InChIKey is CFSGRVAYAFCNIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19F3N2/c1-3-18-7-9-19(10-8-18)13-6-4-5-12(11(13)2)14(15,16)17/h4-6H,3,7-10H2,1-2H3.
What are the key properties of 1-ethyl-4-[2-methyl-3-(trifluoromethyl)phenyl]piperazine?
1-ethyl-4-[2-methyl-3-(trifluoromethyl)phenyl]piperazine has a molecular weight of 272.31 g/mol, XLogP of 3.16, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-4-[2-methyl-3-(trifluoromethyl)phenyl]piperazine is sourced from PubChem (CID 67531988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).