phenyl-[4-[3-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methanone

C17H16F3N3O — CID 2741589

IUPACphenyl-[4-[3-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methanone
SMILESO=C(c1ccccc1)N1CCN(c2ncccc2C(F)(F)F)CC1
InChIInChI=1S/C17H16F3N3O/c18-17(19,20)14-7-4-8-21-15(14)22-9-11-23(12-10-22)16(24)13-5-2-1-3-6-13/h1-8H,9-12H2
InChIKeySNZCYYQNLVCJFM-UHFFFAOYSA-N
MW335.33 g/mol
LogP3.06
Rot. Bonds2

About phenyl-[4-[3-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methanone

phenyl-[4-[3-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methanone (PubChem CID 2741589) has the molecular formula C17H16F3N3O and a molecular weight of 335.33 g/mol. Its IUPAC name is phenyl-[4-[3-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methanone.

Molecular Properties

Compound Namephenyl-[4-[3-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methanone
PubChem CID2741589
Molecular FormulaC17H16F3N3O
Molecular Weight335.33 g/mol
Exact Mass335.12
IUPAC Namephenyl-[4-[3-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methanone
SMILESO=C(c1ccccc1)N1CCN(c2ncccc2C(F)(F)F)CC1
InChIInChI=1S/C17H16F3N3O/c18-17(19,20)14-7-4-8-21-15(14)22-9-11-23(12-10-22)16(24)13-5-2-1-3-6-13/h1-8H,9-12H2
InChIKeySNZCYYQNLVCJFM-UHFFFAOYSA-N
XLogP3.06
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.33
LogP ≤ 53.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of phenyl-[4-[3-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methanone?
The IUPAC name of phenyl-[4-[3-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methanone (CID 2741589) is phenyl-[4-[3-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methanone.
What is the SMILES notation for phenyl-[4-[3-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methanone?
The canonical SMILES for phenyl-[4-[3-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methanone is O=C(c1ccccc1)N1CCN(c2ncccc2C(F)(F)F)CC1.
What is the InChIKey of phenyl-[4-[3-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methanone?
The InChIKey is SNZCYYQNLVCJFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16F3N3O/c18-17(19,20)14-7-4-8-21-15(14)22-9-11-23(12-10-22)16(24)13-5-2-1-3-6-13/h1-8H,9-12H2.
What are the key properties of phenyl-[4-[3-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methanone?
phenyl-[4-[3-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methanone has a molecular weight of 335.33 g/mol, XLogP of 3.06, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl-[4-[3-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methanone is sourced from PubChem (CID 2741589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).