1-[4-propoxy-2-(trifluoromethyl)phenyl]-4-propylpiperazine

C17H25F3N2O — CID 20770576

IUPAC1-[4-propoxy-2-(trifluoromethyl)phenyl]-4-propylpiperazine
SMILESCCCOc1ccc(N2CCN(CCC)CC2)c(C(F)(F)F)c1
InChIInChI=1S/C17H25F3N2O/c1-3-7-21-8-10-22(11-9-21)16-6-5-14(23-12-4-2)13-15(16)17(18,19)20/h5-6,13H,3-4,7-12H2,1-2H3
InChIKeyMXDOQQKIMANYSU-UHFFFAOYSA-N
MW330.39 g/mol
LogP4.03
Rot. Bonds6

About 1-[4-propoxy-2-(trifluoromethyl)phenyl]-4-propylpiperazine

1-[4-propoxy-2-(trifluoromethyl)phenyl]-4-propylpiperazine (PubChem CID 20770576) has the molecular formula C17H25F3N2O and a molecular weight of 330.39 g/mol. Its IUPAC name is 1-[4-propoxy-2-(trifluoromethyl)phenyl]-4-propylpiperazine.

Molecular Properties

Compound Name1-[4-propoxy-2-(trifluoromethyl)phenyl]-4-propylpiperazine
PubChem CID20770576
Molecular FormulaC17H25F3N2O
Molecular Weight330.39 g/mol
Exact Mass330.19
IUPAC Name1-[4-propoxy-2-(trifluoromethyl)phenyl]-4-propylpiperazine
SMILESCCCOc1ccc(N2CCN(CCC)CC2)c(C(F)(F)F)c1
InChIInChI=1S/C17H25F3N2O/c1-3-7-21-8-10-22(11-9-21)16-6-5-14(23-12-4-2)13-15(16)17(18,19)20/h5-6,13H,3-4,7-12H2,1-2H3
InChIKeyMXDOQQKIMANYSU-UHFFFAOYSA-N
XLogP4.03
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.39
LogP ≤ 54.03
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-[4-propoxy-2-(trifluoromethyl)phenyl]-4-propylpiperazine?
The IUPAC name of 1-[4-propoxy-2-(trifluoromethyl)phenyl]-4-propylpiperazine (CID 20770576) is 1-[4-propoxy-2-(trifluoromethyl)phenyl]-4-propylpiperazine.
What is the SMILES notation for 1-[4-propoxy-2-(trifluoromethyl)phenyl]-4-propylpiperazine?
The canonical SMILES for 1-[4-propoxy-2-(trifluoromethyl)phenyl]-4-propylpiperazine is CCCOc1ccc(N2CCN(CCC)CC2)c(C(F)(F)F)c1.
What is the InChIKey of 1-[4-propoxy-2-(trifluoromethyl)phenyl]-4-propylpiperazine?
The InChIKey is MXDOQQKIMANYSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25F3N2O/c1-3-7-21-8-10-22(11-9-21)16-6-5-14(23-12-4-2)13-15(16)17(18,19)20/h5-6,13H,3-4,7-12H2,1-2H3.
What are the key properties of 1-[4-propoxy-2-(trifluoromethyl)phenyl]-4-propylpiperazine?
1-[4-propoxy-2-(trifluoromethyl)phenyl]-4-propylpiperazine has a molecular weight of 330.39 g/mol, XLogP of 4.03, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-propoxy-2-(trifluoromethyl)phenyl]-4-propylpiperazine is sourced from PubChem (CID 20770576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).