1-(2-methoxyethyl)-4-[5-[4-(trifluoromethyl)phenyl]-2-pyridinyl]piperazine

C19H22F3N3O — CID 15951455

IUPAC1-(2-methoxyethyl)-4-[5-[4-(trifluoromethyl)phenyl]-2-pyridinyl]piperazine
SMILESCOCCN1CCN(c2ccc(-c3ccc(C(F)(F)F)cc3)cn2)CC1
InChIInChI=1S/C19H22F3N3O/c1-26-13-12-24-8-10-25(11-9-24)18-7-4-16(14-23-18)15-2-5-17(6-3-15)19(20,21)22/h2-7,14H,8-13H2,1H3
InChIKeyVRBSFNPUXVGVHR-UHFFFAOYSA-N
MW365.40 g/mol
LogP3.54
Rot. Bonds5

About 1-(2-methoxyethyl)-4-[5-[4-(trifluoromethyl)phenyl]-2-pyridinyl]piperazine

1-(2-methoxyethyl)-4-[5-[4-(trifluoromethyl)phenyl]-2-pyridinyl]piperazine (PubChem CID 15951455) has the molecular formula C19H22F3N3O and a molecular weight of 365.40 g/mol. Its IUPAC name is 1-(2-methoxyethyl)-4-[5-[4-(trifluoromethyl)phenyl]-2-pyridinyl]piperazine.

Molecular Properties

Compound Name1-(2-methoxyethyl)-4-[5-[4-(trifluoromethyl)phenyl]-2-pyridinyl]piperazine
PubChem CID15951455
Molecular FormulaC19H22F3N3O
Molecular Weight365.40 g/mol
Exact Mass365.17
IUPAC Name1-(2-methoxyethyl)-4-[5-[4-(trifluoromethyl)phenyl]-2-pyridinyl]piperazine
SMILESCOCCN1CCN(c2ccc(-c3ccc(C(F)(F)F)cc3)cn2)CC1
InChIInChI=1S/C19H22F3N3O/c1-26-13-12-24-8-10-25(11-9-24)18-7-4-16(14-23-18)15-2-5-17(6-3-15)19(20,21)22/h2-7,14H,8-13H2,1H3
InChIKeyVRBSFNPUXVGVHR-UHFFFAOYSA-N
XLogP3.54
TPSA28.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.40
LogP ≤ 53.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyethyl)-4-[5-[4-(trifluoromethyl)phenyl]-2-pyridinyl]piperazine?
The IUPAC name of 1-(2-methoxyethyl)-4-[5-[4-(trifluoromethyl)phenyl]-2-pyridinyl]piperazine (CID 15951455) is 1-(2-methoxyethyl)-4-[5-[4-(trifluoromethyl)phenyl]-2-pyridinyl]piperazine.
What is the SMILES notation for 1-(2-methoxyethyl)-4-[5-[4-(trifluoromethyl)phenyl]-2-pyridinyl]piperazine?
The canonical SMILES for 1-(2-methoxyethyl)-4-[5-[4-(trifluoromethyl)phenyl]-2-pyridinyl]piperazine is COCCN1CCN(c2ccc(-c3ccc(C(F)(F)F)cc3)cn2)CC1.
What is the InChIKey of 1-(2-methoxyethyl)-4-[5-[4-(trifluoromethyl)phenyl]-2-pyridinyl]piperazine?
The InChIKey is VRBSFNPUXVGVHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22F3N3O/c1-26-13-12-24-8-10-25(11-9-24)18-7-4-16(14-23-18)15-2-5-17(6-3-15)19(20,21)22/h2-7,14H,8-13H2,1H3.
What are the key properties of 1-(2-methoxyethyl)-4-[5-[4-(trifluoromethyl)phenyl]-2-pyridinyl]piperazine?
1-(2-methoxyethyl)-4-[5-[4-(trifluoromethyl)phenyl]-2-pyridinyl]piperazine has a molecular weight of 365.40 g/mol, XLogP of 3.54, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyethyl)-4-[5-[4-(trifluoromethyl)phenyl]-2-pyridinyl]piperazine is sourced from PubChem (CID 15951455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).