1-[2-(trifluoromethyl)-4-pyridinyl]piperazine;dihydrochloride

C10H14Cl2F3N3 — CID 154825576

IUPAC1-[2-(trifluoromethyl)-4-pyridinyl]piperazine;dihydrochloride
SMILESCl.Cl.FC(F)(F)c1cc(N2CCNCC2)ccn1
InChIInChI=1S/C10H12F3N3.2ClH/c11-10(12,13)9-7-8(1-2-15-9)16-5-3-14-4-6-16;;/h1-2,7,14H,3-6H2;2*1H
InChIKeyHPEYLDIQBMOAAY-UHFFFAOYSA-N
MW304.14 g/mol
LogP2.35
Rot. Bonds1

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

1-[2-(trifluoromethyl)-4-pyridinyl]piperazine;dihydrochloride (PubChem CID 154825576) has the molecular formula C10H14Cl2F3N3 and a molecular weight of 304.14 g/mol. Its IUPAC name is 1-[2-(trifluoromethyl)-4-pyridinyl]piperazine;dihydrochloride.

Molecular Properties

Compound Name1-[2-(trifluoromethyl)-4-pyridinyl]piperazine;dihydrochloride
PubChem CID154825576
Molecular FormulaC10H14Cl2F3N3
Molecular Weight304.14 g/mol
Exact Mass303.05
IUPAC Name1-[2-(trifluoromethyl)-4-pyridinyl]piperazine;dihydrochloride
SMILESCl.Cl.FC(F)(F)c1cc(N2CCNCC2)ccn1
InChIInChI=1S/C10H12F3N3.2ClH/c11-10(12,13)9-7-8(1-2-15-9)16-5-3-14-4-6-16;;/h1-2,7,14H,3-6H2;2*1H
InChIKeyHPEYLDIQBMOAAY-UHFFFAOYSA-N
XLogP2.35
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.14
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(trifluoromethyl)-4-pyridinyl]piperazine;dihydrochloride?
The IUPAC name of 1-[2-(trifluoromethyl)-4-pyridinyl]piperazine;dihydrochloride (CID 154825576) is 1-[2-(trifluoromethyl)-4-pyridinyl]piperazine;dihydrochloride.
What is the SMILES notation for 1-[2-(trifluoromethyl)-4-pyridinyl]piperazine;dihydrochloride?
The canonical SMILES for 1-[2-(trifluoromethyl)-4-pyridinyl]piperazine;dihydrochloride is Cl.Cl.FC(F)(F)c1cc(N2CCNCC2)ccn1.
What is the InChIKey of 1-[2-(trifluoromethyl)-4-pyridinyl]piperazine;dihydrochloride?
The InChIKey is HPEYLDIQBMOAAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12F3N3.2ClH/c11-10(12,13)9-7-8(1-2-15-9)16-5-3-14-4-6-16;;/h1-2,7,14H,3-6H2;2*1H.
What are the key properties of 1-[2-(trifluoromethyl)-4-pyridinyl]piperazine;dihydrochloride?
1-[2-(trifluoromethyl)-4-pyridinyl]piperazine;dihydrochloride has a molecular weight of 304.14 g/mol, XLogP of 2.35, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(trifluoromethyl)-4-pyridinyl]piperazine;dihydrochloride is sourced from PubChem (CID 154825576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).