1-[3-(trifluoromethyl)-4-pyridinyl]piperazine;trihydrochloride

C10H15Cl3F3N3 — CID 86593827

IUPAC1-[3-(trifluoromethyl)-4-pyridinyl]piperazine;trihydrochloride
SMILESCl.Cl.Cl.FC(F)(F)c1cnccc1N1CCNCC1
InChIInChI=1S/C10H12F3N3.3ClH/c11-10(12,13)8-7-15-2-1-9(8)16-5-3-14-4-6-16;;;/h1-2,7,14H,3-6H2;3*1H
InChIKeyWMIJAPOJPLLECI-UHFFFAOYSA-N
MW340.60 g/mol
LogP2.78
Rot. Bonds1

About 1-[3-(trifluoromethyl)-4-pyridinyl]piperazine;trihydrochloride

1-[3-(trifluoromethyl)-4-pyridinyl]piperazine;trihydrochloride (PubChem CID 86593827) has the molecular formula C10H15Cl3F3N3 and a molecular weight of 340.60 g/mol. Its IUPAC name is 1-[3-(trifluoromethyl)-4-pyridinyl]piperazine;trihydrochloride.

Molecular Properties

Compound Name1-[3-(trifluoromethyl)-4-pyridinyl]piperazine;trihydrochloride
PubChem CID86593827
Molecular FormulaC10H15Cl3F3N3
Molecular Weight340.60 g/mol
Exact Mass339.03
IUPAC Name1-[3-(trifluoromethyl)-4-pyridinyl]piperazine;trihydrochloride
SMILESCl.Cl.Cl.FC(F)(F)c1cnccc1N1CCNCC1
InChIInChI=1S/C10H12F3N3.3ClH/c11-10(12,13)8-7-15-2-1-9(8)16-5-3-14-4-6-16;;;/h1-2,7,14H,3-6H2;3*1H
InChIKeyWMIJAPOJPLLECI-UHFFFAOYSA-N
XLogP2.78
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.60
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[3-(trifluoromethyl)-4-pyridinyl]piperazine;trihydrochloride?
The IUPAC name of 1-[3-(trifluoromethyl)-4-pyridinyl]piperazine;trihydrochloride (CID 86593827) is 1-[3-(trifluoromethyl)-4-pyridinyl]piperazine;trihydrochloride.
What is the SMILES notation for 1-[3-(trifluoromethyl)-4-pyridinyl]piperazine;trihydrochloride?
The canonical SMILES for 1-[3-(trifluoromethyl)-4-pyridinyl]piperazine;trihydrochloride is Cl.Cl.Cl.FC(F)(F)c1cnccc1N1CCNCC1.
What is the InChIKey of 1-[3-(trifluoromethyl)-4-pyridinyl]piperazine;trihydrochloride?
The InChIKey is WMIJAPOJPLLECI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12F3N3.3ClH/c11-10(12,13)8-7-15-2-1-9(8)16-5-3-14-4-6-16;;;/h1-2,7,14H,3-6H2;3*1H.
What are the key properties of 1-[3-(trifluoromethyl)-4-pyridinyl]piperazine;trihydrochloride?
1-[3-(trifluoromethyl)-4-pyridinyl]piperazine;trihydrochloride has a molecular weight of 340.60 g/mol, XLogP of 2.78, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(trifluoromethyl)-4-pyridinyl]piperazine;trihydrochloride is sourced from PubChem (CID 86593827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).