1-[3-(trifluoromethyl)phenyl]piperazine;hydrochloride

C11H14ClF3N2 — CID 3084246

IUPAC1-[3-(trifluoromethyl)phenyl]piperazine;hydrochloride
SMILESCl.FC(F)(F)c1cccc(N2CCNCC2)c1
InChIInChI=1S/C11H13F3N2.ClH/c12-11(13,14)9-2-1-3-10(8-9)16-6-4-15-5-7-16;/h1-3,8,15H,4-7H2;1H
InChIKeyDGNLGWJZZZOYPT-UHFFFAOYSA-N
MW266.69 g/mol
LogP2.54
Rot. Bonds1

About 1-[3-(trifluoromethyl)phenyl]piperazine;hydrochloride

1-[3-(trifluoromethyl)phenyl]piperazine;hydrochloride (PubChem CID 3084246) has the molecular formula C11H14ClF3N2 and a molecular weight of 266.69 g/mol. Its IUPAC name is 1-[3-(trifluoromethyl)phenyl]piperazine;hydrochloride.

Molecular Properties

Compound Name1-[3-(trifluoromethyl)phenyl]piperazine;hydrochloride
PubChem CID3084246
Molecular FormulaC11H14ClF3N2
Molecular Weight266.69 g/mol
Exact Mass266.08
IUPAC Name1-[3-(trifluoromethyl)phenyl]piperazine;hydrochloride
SMILESCl.FC(F)(F)c1cccc(N2CCNCC2)c1
InChIInChI=1S/C11H13F3N2.ClH/c12-11(13,14)9-2-1-3-10(8-9)16-6-4-15-5-7-16;/h1-3,8,15H,4-7H2;1H
InChIKeyDGNLGWJZZZOYPT-UHFFFAOYSA-N
XLogP2.54
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.69
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[3-(trifluoromethyl)phenyl]piperazine;hydrochloride?
The IUPAC name of 1-[3-(trifluoromethyl)phenyl]piperazine;hydrochloride (CID 3084246) is 1-[3-(trifluoromethyl)phenyl]piperazine;hydrochloride.
What is the SMILES notation for 1-[3-(trifluoromethyl)phenyl]piperazine;hydrochloride?
The canonical SMILES for 1-[3-(trifluoromethyl)phenyl]piperazine;hydrochloride is Cl.FC(F)(F)c1cccc(N2CCNCC2)c1.
What is the InChIKey of 1-[3-(trifluoromethyl)phenyl]piperazine;hydrochloride?
The InChIKey is DGNLGWJZZZOYPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F3N2.ClH/c12-11(13,14)9-2-1-3-10(8-9)16-6-4-15-5-7-16;/h1-3,8,15H,4-7H2;1H.
What are the key properties of 1-[3-(trifluoromethyl)phenyl]piperazine;hydrochloride?
1-[3-(trifluoromethyl)phenyl]piperazine;hydrochloride has a molecular weight of 266.69 g/mol, XLogP of 2.54, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(trifluoromethyl)phenyl]piperazine;hydrochloride is sourced from PubChem (CID 3084246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).