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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(4-piperazin-1-yl-2-pyridinyl)propan-2-ol
CID 146276335
1-phenyl-4-[2-(trifluoromethyl)-4-pyridinyl]piperazine
CID 175649905
2-[4-[2-(trifluoromethyl)-4-pyridinyl]piperazin-1-yl]ethanol
CID 171701811
N-chloro-1-[2-(trifluoromethyl)-4-pyridinyl]piperidin-4-amine
CID 118054993
dichloroosmium;bis(1-[2-(4-piperazin-1-yl-2-pyridinyl)-4-pyridinyl]piperazine)
CID 144800267
4-piperazin-1-ylpyridine-2-carbonitrile;dihydrochloride
CID 154825612
4-[1-[2-(trifluoromethyl)-4-pyridinyl]piperidin-4-yl]morpholine
CID 171691128
2-(2-chloro-4-piperazin-1-ylphenoxy)-4-(trifluoromethyl)pyrimidine
CID 141414233
[1-[2-(trifluoromethyl)-4-pyridinyl]piperidin-4-yl]carbamic acid
CID 67341843
(2S,6R)-2,6-dimethyl-4-[2-(trifluoromethyl)-4-pyridinyl]morpholine
CID 155974206
3-methyl-8-[2-(trifluoromethyl)-4-pyridinyl]-8-azaspiro[4.5]decane
CID 91080290
8-[2-(trifluoromethyl)-4-pyridinyl]-2,8-diazaspiro[4.5]decane-2-carboxylic acid
CID 66700967

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).