1-[5-(trifluoromethyl)-3-pyridinyl]piperazine;dihydrochloride

C10H14Cl2F3N3 — CID 154825593

IUPAC1-[5-(trifluoromethyl)-3-pyridinyl]piperazine;dihydrochloride
SMILESCl.Cl.FC(F)(F)c1cncc(N2CCNCC2)c1
InChIInChI=1S/C10H12F3N3.2ClH/c11-10(12,13)8-5-9(7-15-6-8)16-3-1-14-2-4-16;;/h5-7,14H,1-4H2;2*1H
InChIKeyYKKZRHYDPXYZIQ-UHFFFAOYSA-N
MW304.14 g/mol
LogP2.35
Rot. Bonds1

About 1-[5-(trifluoromethyl)-3-pyridinyl]piperazine;dihydrochloride

1-[5-(trifluoromethyl)-3-pyridinyl]piperazine;dihydrochloride (PubChem CID 154825593) has the molecular formula C10H14Cl2F3N3 and a molecular weight of 304.14 g/mol. Its IUPAC name is 1-[5-(trifluoromethyl)-3-pyridinyl]piperazine;dihydrochloride.

Molecular Properties

Compound Name1-[5-(trifluoromethyl)-3-pyridinyl]piperazine;dihydrochloride
PubChem CID154825593
Molecular FormulaC10H14Cl2F3N3
Molecular Weight304.14 g/mol
Exact Mass303.05
IUPAC Name1-[5-(trifluoromethyl)-3-pyridinyl]piperazine;dihydrochloride
SMILESCl.Cl.FC(F)(F)c1cncc(N2CCNCC2)c1
InChIInChI=1S/C10H12F3N3.2ClH/c11-10(12,13)8-5-9(7-15-6-8)16-3-1-14-2-4-16;;/h5-7,14H,1-4H2;2*1H
InChIKeyYKKZRHYDPXYZIQ-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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Related Compounds

1-tert-butyl-4-[5-(trifluoromethyl)-3-pyridinyl]piperazine
CID 123756396
1-[3-chloro-5-(trifluoromethyl)phenyl]piperazine
CID 22345195
1-[3-iodo-5-(trifluoromethyl)phenyl]piperazine
CID 162584678
5-piperazin-1-ylpyrimidine;hydrochloride
CID 69201469
1-(5-methoxy-3-pyridinyl)piperazine;dihydrochloride
CID 126809385
1-[3-bromo-5-(trifluoromethyl)-2-pyridinyl]piperazine;hydrochloride
CID 166485525
formaldehyde;1-[3-(trifluoromethyl)phenyl]piperazine
CID 159253416
1-(5-ethenyl-3-pyridinyl)piperazine
CID 150234199
2-piperazin-1-yl-5-(trifluoromethyl)pyridin-3-amine
CID 83778730
4-[5-(trifluoromethyl)-3-pyridinyl]-1,4-diazabicyclo[3.2.1]octane;dihydrochloride
CID 69320217
5-(1,4-diazepan-1-yl)pyridin-3-ol
CID 10559695
N-(5-piperazin-1-yl-3-pyridinyl)acetamide;dihydrochloride
CID 154825632

Frequently Asked Questions

What is the IUPAC name of 1-[5-(trifluoromethyl)-3-pyridinyl]piperazine;dihydrochloride?
The IUPAC name of 1-[5-(trifluoromethyl)-3-pyridinyl]piperazine;dihydrochloride (CID 154825593) is 1-[5-(trifluoromethyl)-3-pyridinyl]piperazine;dihydrochloride.
What is the SMILES notation for 1-[5-(trifluoromethyl)-3-pyridinyl]piperazine;dihydrochloride?
The canonical SMILES for 1-[5-(trifluoromethyl)-3-pyridinyl]piperazine;dihydrochloride is Cl.Cl.FC(F)(F)c1cncc(N2CCNCC2)c1.
What is the InChIKey of 1-[5-(trifluoromethyl)-3-pyridinyl]piperazine;dihydrochloride?
The InChIKey is YKKZRHYDPXYZIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12F3N3.2ClH/c11-10(12,13)8-5-9(7-15-6-8)16-3-1-14-2-4-16;;/h5-7,14H,1-4H2;2*1H.
What are the key properties of 1-[5-(trifluoromethyl)-3-pyridinyl]piperazine;dihydrochloride?
1-[5-(trifluoromethyl)-3-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-[5-(trifluoromethyl)-3-pyridinyl]piperazine;dihydrochloride is sourced from PubChem (CID 154825593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).