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

C14H19F3N2O2 — CID 21363811

IUPAC1-[4-(2-methoxyethoxy)-3-(trifluoromethyl)phenyl]piperazine
SMILESCOCCOc1ccc(N2CCNCC2)cc1C(F)(F)F
InChIInChI=1S/C14H19F3N2O2/c1-20-8-9-21-13-3-2-11(10-12(13)14(15,16)17)19-6-4-18-5-7-19/h2-3,10,18H,4-9H2,1H3
InChIKeyZZNYEDKIPGBSES-UHFFFAOYSA-N
MW304.31 g/mol
LogP2.14
Rot. Bonds5

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

1-[4-(2-methoxyethoxy)-3-(trifluoromethyl)phenyl]piperazine (PubChem CID 21363811) has the molecular formula C14H19F3N2O2 and a molecular weight of 304.31 g/mol. Its IUPAC name is 1-[4-(2-methoxyethoxy)-3-(trifluoromethyl)phenyl]piperazine.

Molecular Properties

Compound Name1-[4-(2-methoxyethoxy)-3-(trifluoromethyl)phenyl]piperazine
PubChem CID21363811
Molecular FormulaC14H19F3N2O2
Molecular Weight304.31 g/mol
Exact Mass304.14
IUPAC Name1-[4-(2-methoxyethoxy)-3-(trifluoromethyl)phenyl]piperazine
SMILESCOCCOc1ccc(N2CCNCC2)cc1C(F)(F)F
InChIInChI=1S/C14H19F3N2O2/c1-20-8-9-21-13-3-2-11(10-12(13)14(15,16)17)19-6-4-18-5-7-19/h2-3,10,18H,4-9H2,1H3
InChIKeyZZNYEDKIPGBSES-UHFFFAOYSA-N
XLogP2.14
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.31
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(2-methoxyethoxy)-3-(trifluoromethyl)phenyl]piperazine?
The IUPAC name of 1-[4-(2-methoxyethoxy)-3-(trifluoromethyl)phenyl]piperazine (CID 21363811) is 1-[4-(2-methoxyethoxy)-3-(trifluoromethyl)phenyl]piperazine.
What is the SMILES notation for 1-[4-(2-methoxyethoxy)-3-(trifluoromethyl)phenyl]piperazine?
The canonical SMILES for 1-[4-(2-methoxyethoxy)-3-(trifluoromethyl)phenyl]piperazine is COCCOc1ccc(N2CCNCC2)cc1C(F)(F)F.
What is the InChIKey of 1-[4-(2-methoxyethoxy)-3-(trifluoromethyl)phenyl]piperazine?
The InChIKey is ZZNYEDKIPGBSES-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19F3N2O2/c1-20-8-9-21-13-3-2-11(10-12(13)14(15,16)17)19-6-4-18-5-7-19/h2-3,10,18H,4-9H2,1H3.
What are the key properties of 1-[4-(2-methoxyethoxy)-3-(trifluoromethyl)phenyl]piperazine?
1-[4-(2-methoxyethoxy)-3-(trifluoromethyl)phenyl]piperazine has a molecular weight of 304.31 g/mol, XLogP of 2.14, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2-methoxyethoxy)-3-(trifluoromethyl)phenyl]piperazine is sourced from PubChem (CID 21363811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).