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

C16H16F3N3 — CID 175649905

IUPAC1-phenyl-4-[2-(trifluoromethyl)-4-pyridinyl]piperazine
SMILESFC(F)(F)c1cc(N2CCN(c3ccccc3)CC2)ccn1
InChIInChI=1S/C16H16F3N3/c17-16(18,19)15-12-14(6-7-20-15)22-10-8-21(9-11-22)13-4-2-1-3-5-13/h1-7,12H,8-11H2
InChIKeyRYCUCNNUGZXWPL-UHFFFAOYSA-N
MW307.32 g/mol
LogP3.43
Rot. Bonds2

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

1-phenyl-4-[2-(trifluoromethyl)-4-pyridinyl]piperazine (PubChem CID 175649905) has the molecular formula C16H16F3N3 and a molecular weight of 307.32 g/mol. Its IUPAC name is 1-phenyl-4-[2-(trifluoromethyl)-4-pyridinyl]piperazine.

Molecular Properties

Compound Name1-phenyl-4-[2-(trifluoromethyl)-4-pyridinyl]piperazine
PubChem CID175649905
Molecular FormulaC16H16F3N3
Molecular Weight307.32 g/mol
Exact Mass307.13
IUPAC Name1-phenyl-4-[2-(trifluoromethyl)-4-pyridinyl]piperazine
SMILESFC(F)(F)c1cc(N2CCN(c3ccccc3)CC2)ccn1
InChIInChI=1S/C16H16F3N3/c17-16(18,19)15-12-14(6-7-20-15)22-10-8-21(9-11-22)13-4-2-1-3-5-13/h1-7,12H,8-11H2
InChIKeyRYCUCNNUGZXWPL-UHFFFAOYSA-N
XLogP3.43
TPSA19.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.32
LogP ≤ 53.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-phenyl-4-[2-(trifluoromethyl)-4-pyridinyl]piperazine?
The IUPAC name of 1-phenyl-4-[2-(trifluoromethyl)-4-pyridinyl]piperazine (CID 175649905) is 1-phenyl-4-[2-(trifluoromethyl)-4-pyridinyl]piperazine.
What is the SMILES notation for 1-phenyl-4-[2-(trifluoromethyl)-4-pyridinyl]piperazine?
The canonical SMILES for 1-phenyl-4-[2-(trifluoromethyl)-4-pyridinyl]piperazine is FC(F)(F)c1cc(N2CCN(c3ccccc3)CC2)ccn1.
What is the InChIKey of 1-phenyl-4-[2-(trifluoromethyl)-4-pyridinyl]piperazine?
The InChIKey is RYCUCNNUGZXWPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16F3N3/c17-16(18,19)15-12-14(6-7-20-15)22-10-8-21(9-11-22)13-4-2-1-3-5-13/h1-7,12H,8-11H2.
What are the key properties of 1-phenyl-4-[2-(trifluoromethyl)-4-pyridinyl]piperazine?
1-phenyl-4-[2-(trifluoromethyl)-4-pyridinyl]piperazine has a molecular weight of 307.32 g/mol, XLogP of 3.43, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-4-[2-(trifluoromethyl)-4-pyridinyl]piperazine is sourced from PubChem (CID 175649905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).