1-(3,3,3-trifluoropropyl)piperazine;hydrochloride

C7H14ClF3N2 — CID 22281412

IUPAC1-(3,3,3-trifluoropropyl)piperazine;hydrochloride
SMILESCl.FC(F)(F)CCN1CCNCC1
InChIInChI=1S/C7H13F3N2.ClH/c8-7(9,10)1-4-12-5-2-11-3-6-12;/h11H,1-6H2;1H
InChIKeyDMXJELYEOYNHLG-UHFFFAOYSA-N
MW218.65 g/mol
LogP1.27
Rot. Bonds2

About 1-(3,3,3-trifluoropropyl)piperazine;hydrochloride

1-(3,3,3-trifluoropropyl)piperazine;hydrochloride (PubChem CID 22281412) has the molecular formula C7H14ClF3N2 and a molecular weight of 218.65 g/mol. Its IUPAC name is 1-(3,3,3-trifluoropropyl)piperazine;hydrochloride.

Molecular Properties

Compound Name1-(3,3,3-trifluoropropyl)piperazine;hydrochloride
PubChem CID22281412
Molecular FormulaC7H14ClF3N2
Molecular Weight218.65 g/mol
Exact Mass218.08
IUPAC Name1-(3,3,3-trifluoropropyl)piperazine;hydrochloride
SMILESCl.FC(F)(F)CCN1CCNCC1
InChIInChI=1S/C7H13F3N2.ClH/c8-7(9,10)1-4-12-5-2-11-3-6-12;/h11H,1-6H2;1H
InChIKeyDMXJELYEOYNHLG-UHFFFAOYSA-N
XLogP1.27
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.65
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(3,3,3-trifluoropropyl)piperazine;hydrochloride?
The IUPAC name of 1-(3,3,3-trifluoropropyl)piperazine;hydrochloride (CID 22281412) is 1-(3,3,3-trifluoropropyl)piperazine;hydrochloride.
What is the SMILES notation for 1-(3,3,3-trifluoropropyl)piperazine;hydrochloride?
The canonical SMILES for 1-(3,3,3-trifluoropropyl)piperazine;hydrochloride is Cl.FC(F)(F)CCN1CCNCC1.
What is the InChIKey of 1-(3,3,3-trifluoropropyl)piperazine;hydrochloride?
The InChIKey is DMXJELYEOYNHLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13F3N2.ClH/c8-7(9,10)1-4-12-5-2-11-3-6-12;/h11H,1-6H2;1H.
What are the key properties of 1-(3,3,3-trifluoropropyl)piperazine;hydrochloride?
1-(3,3,3-trifluoropropyl)piperazine;hydrochloride has a molecular weight of 218.65 g/mol, XLogP of 1.27, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,3,3-trifluoropropyl)piperazine;hydrochloride is sourced from PubChem (CID 22281412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).