1-[3-ethyl-4-(trifluoromethoxy)phenyl]-4-methylpiperazine

C14H19F3N2O — CID 143781456

IUPAC1-[3-ethyl-4-(trifluoromethoxy)phenyl]-4-methylpiperazine
SMILESCCc1cc(N2CCN(C)CC2)ccc1OC(F)(F)F
InChIInChI=1S/C14H19F3N2O/c1-3-11-10-12(19-8-6-18(2)7-9-19)4-5-13(11)20-14(15,16)17/h4-5,10H,3,6-9H2,1-2H3
InChIKeyWYVADKVLKMXTOF-UHFFFAOYSA-N
MW288.31 g/mol
LogP2.90
Rot. Bonds3

About 1-[3-ethyl-4-(trifluoromethoxy)phenyl]-4-methylpiperazine

1-[3-ethyl-4-(trifluoromethoxy)phenyl]-4-methylpiperazine (PubChem CID 143781456) has the molecular formula C14H19F3N2O and a molecular weight of 288.31 g/mol. Its IUPAC name is 1-[3-ethyl-4-(trifluoromethoxy)phenyl]-4-methylpiperazine.

Molecular Properties

Compound Name1-[3-ethyl-4-(trifluoromethoxy)phenyl]-4-methylpiperazine
PubChem CID143781456
Molecular FormulaC14H19F3N2O
Molecular Weight288.31 g/mol
Exact Mass288.14
IUPAC Name1-[3-ethyl-4-(trifluoromethoxy)phenyl]-4-methylpiperazine
SMILESCCc1cc(N2CCN(C)CC2)ccc1OC(F)(F)F
InChIInChI=1S/C14H19F3N2O/c1-3-11-10-12(19-8-6-18(2)7-9-19)4-5-13(11)20-14(15,16)17/h4-5,10H,3,6-9H2,1-2H3
InChIKeyWYVADKVLKMXTOF-UHFFFAOYSA-N
XLogP2.90
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.31
LogP ≤ 52.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[3-ethyl-4-(trifluoromethoxy)phenyl]-4-methylpiperazine?
The IUPAC name of 1-[3-ethyl-4-(trifluoromethoxy)phenyl]-4-methylpiperazine (CID 143781456) is 1-[3-ethyl-4-(trifluoromethoxy)phenyl]-4-methylpiperazine.
What is the SMILES notation for 1-[3-ethyl-4-(trifluoromethoxy)phenyl]-4-methylpiperazine?
The canonical SMILES for 1-[3-ethyl-4-(trifluoromethoxy)phenyl]-4-methylpiperazine is CCc1cc(N2CCN(C)CC2)ccc1OC(F)(F)F.
What is the InChIKey of 1-[3-ethyl-4-(trifluoromethoxy)phenyl]-4-methylpiperazine?
The InChIKey is WYVADKVLKMXTOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19F3N2O/c1-3-11-10-12(19-8-6-18(2)7-9-19)4-5-13(11)20-14(15,16)17/h4-5,10H,3,6-9H2,1-2H3.
What are the key properties of 1-[3-ethyl-4-(trifluoromethoxy)phenyl]-4-methylpiperazine?
1-[3-ethyl-4-(trifluoromethoxy)phenyl]-4-methylpiperazine has a molecular weight of 288.31 g/mol, XLogP of 2.90, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-ethyl-4-(trifluoromethoxy)phenyl]-4-methylpiperazine is sourced from PubChem (CID 143781456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).