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

C14H18ClF3N2O — CID 67533467

IUPAC1-[3-chloro-2-(trifluoromethyl)phenyl]-4-(2-methoxyethyl)piperazine
SMILESCOCCN1CCN(c2cccc(Cl)c2C(F)(F)F)CC1
InChIInChI=1S/C14H18ClF3N2O/c1-21-10-9-19-5-7-20(8-6-19)12-4-2-3-11(15)13(12)14(16,17)18/h2-4H,5-10H2,1H3
InChIKeyRCYAJJCUJZBPJD-UHFFFAOYSA-N
MW322.76 g/mol
LogP3.13
Rot. Bonds4

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

1-[3-chloro-2-(trifluoromethyl)phenyl]-4-(2-methoxyethyl)piperazine (PubChem CID 67533467) has the molecular formula C14H18ClF3N2O and a molecular weight of 322.76 g/mol. Its IUPAC name is 1-[3-chloro-2-(trifluoromethyl)phenyl]-4-(2-methoxyethyl)piperazine.

Molecular Properties

Compound Name1-[3-chloro-2-(trifluoromethyl)phenyl]-4-(2-methoxyethyl)piperazine
PubChem CID67533467
Molecular FormulaC14H18ClF3N2O
Molecular Weight322.76 g/mol
Exact Mass322.11
IUPAC Name1-[3-chloro-2-(trifluoromethyl)phenyl]-4-(2-methoxyethyl)piperazine
SMILESCOCCN1CCN(c2cccc(Cl)c2C(F)(F)F)CC1
InChIInChI=1S/C14H18ClF3N2O/c1-21-10-9-19-5-7-20(8-6-19)12-4-2-3-11(15)13(12)14(16,17)18/h2-4H,5-10H2,1H3
InChIKeyRCYAJJCUJZBPJD-UHFFFAOYSA-N
XLogP3.13
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.76
LogP ≤ 53.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[3-chloro-2-(trifluoromethyl)phenyl]-4-(2-methoxyethyl)piperazine?
The IUPAC name of 1-[3-chloro-2-(trifluoromethyl)phenyl]-4-(2-methoxyethyl)piperazine (CID 67533467) is 1-[3-chloro-2-(trifluoromethyl)phenyl]-4-(2-methoxyethyl)piperazine.
What is the SMILES notation for 1-[3-chloro-2-(trifluoromethyl)phenyl]-4-(2-methoxyethyl)piperazine?
The canonical SMILES for 1-[3-chloro-2-(trifluoromethyl)phenyl]-4-(2-methoxyethyl)piperazine is COCCN1CCN(c2cccc(Cl)c2C(F)(F)F)CC1.
What is the InChIKey of 1-[3-chloro-2-(trifluoromethyl)phenyl]-4-(2-methoxyethyl)piperazine?
The InChIKey is RCYAJJCUJZBPJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClF3N2O/c1-21-10-9-19-5-7-20(8-6-19)12-4-2-3-11(15)13(12)14(16,17)18/h2-4H,5-10H2,1H3.
What are the key properties of 1-[3-chloro-2-(trifluoromethyl)phenyl]-4-(2-methoxyethyl)piperazine?
1-[3-chloro-2-(trifluoromethyl)phenyl]-4-(2-methoxyethyl)piperazine has a molecular weight of 322.76 g/mol, XLogP of 3.13, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-chloro-2-(trifluoromethyl)phenyl]-4-(2-methoxyethyl)piperazine is sourced from PubChem (CID 67533467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).