1-[(5-chloro-2-pyridinyl)methyl]-4-[3-(trifluoromethyl)-2-pyridinyl]piperazine

C16H16ClF3N4 — CID 133465598

IUPAC1-[(5-chloro-2-pyridinyl)methyl]-4-[3-(trifluoromethyl)-2-pyridinyl]piperazine
SMILESFC(F)(F)c1cccnc1N1CCN(Cc2ccc(Cl)cn2)CC1
InChIInChI=1S/C16H16ClF3N4/c17-12-3-4-13(22-10-12)11-23-6-8-24(9-7-23)15-14(16(18,19)20)2-1-5-21-15/h1-5,10H,6-9,11H2
InChIKeyHVUYGVMYHLGBIU-UHFFFAOYSA-N
MW356.78 g/mol
LogP3.47
Rot. Bonds3

About 1-[(5-chloro-2-pyridinyl)methyl]-4-[3-(trifluoromethyl)-2-pyridinyl]piperazine

1-[(5-chloro-2-pyridinyl)methyl]-4-[3-(trifluoromethyl)-2-pyridinyl]piperazine (PubChem CID 133465598) has the molecular formula C16H16ClF3N4 and a molecular weight of 356.78 g/mol. Its IUPAC name is 1-[(5-chloro-2-pyridinyl)methyl]-4-[3-(trifluoromethyl)-2-pyridinyl]piperazine.

Molecular Properties

Compound Name1-[(5-chloro-2-pyridinyl)methyl]-4-[3-(trifluoromethyl)-2-pyridinyl]piperazine
PubChem CID133465598
Molecular FormulaC16H16ClF3N4
Molecular Weight356.78 g/mol
Exact Mass356.10
IUPAC Name1-[(5-chloro-2-pyridinyl)methyl]-4-[3-(trifluoromethyl)-2-pyridinyl]piperazine
SMILESFC(F)(F)c1cccnc1N1CCN(Cc2ccc(Cl)cn2)CC1
InChIInChI=1S/C16H16ClF3N4/c17-12-3-4-13(22-10-12)11-23-6-8-24(9-7-23)15-14(16(18,19)20)2-1-5-21-15/h1-5,10H,6-9,11H2
InChIKeyHVUYGVMYHLGBIU-UHFFFAOYSA-N
XLogP3.47
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.78
LogP ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[(5-chloro-2-pyridinyl)methyl]-4-[3-(trifluoromethyl)-2-pyridinyl]piperazine?
The IUPAC name of 1-[(5-chloro-2-pyridinyl)methyl]-4-[3-(trifluoromethyl)-2-pyridinyl]piperazine (CID 133465598) is 1-[(5-chloro-2-pyridinyl)methyl]-4-[3-(trifluoromethyl)-2-pyridinyl]piperazine.
What is the SMILES notation for 1-[(5-chloro-2-pyridinyl)methyl]-4-[3-(trifluoromethyl)-2-pyridinyl]piperazine?
The canonical SMILES for 1-[(5-chloro-2-pyridinyl)methyl]-4-[3-(trifluoromethyl)-2-pyridinyl]piperazine is FC(F)(F)c1cccnc1N1CCN(Cc2ccc(Cl)cn2)CC1.
What is the InChIKey of 1-[(5-chloro-2-pyridinyl)methyl]-4-[3-(trifluoromethyl)-2-pyridinyl]piperazine?
The InChIKey is HVUYGVMYHLGBIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClF3N4/c17-12-3-4-13(22-10-12)11-23-6-8-24(9-7-23)15-14(16(18,19)20)2-1-5-21-15/h1-5,10H,6-9,11H2.
What are the key properties of 1-[(5-chloro-2-pyridinyl)methyl]-4-[3-(trifluoromethyl)-2-pyridinyl]piperazine?
1-[(5-chloro-2-pyridinyl)methyl]-4-[3-(trifluoromethyl)-2-pyridinyl]piperazine has a molecular weight of 356.78 g/mol, XLogP of 3.47, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-chloro-2-pyridinyl)methyl]-4-[3-(trifluoromethyl)-2-pyridinyl]piperazine is sourced from PubChem (CID 133465598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).