1-[(1R)-3,3,3-trifluoro-1-phenylpropyl]piperazine;hydrochloride

C13H18ClF3N2 — CID 171172722

IUPAC1-[(1R)-3,3,3-trifluoro-1-phenylpropyl]piperazine;hydrochloride
SMILESCl.FC(F)(F)C[C@H](c1ccccc1)N1CCNCC1
InChIInChI=1S/C13H17F3N2.ClH/c14-13(15,16)10-12(11-4-2-1-3-5-11)18-8-6-17-7-9-18;/h1-5,12,17H,6-10H2;1H/t12-;/m1./s1
InChIKeyYSHDXCRLKOJZAM-UTONKHPSSA-N
MW294.75 g/mol
LogP3.01
Rot. Bonds3

About 1-[(1R)-3,3,3-trifluoro-1-phenylpropyl]piperazine;hydrochloride

1-[(1R)-3,3,3-trifluoro-1-phenylpropyl]piperazine;hydrochloride (PubChem CID 171172722) has the molecular formula C13H18ClF3N2 and a molecular weight of 294.75 g/mol. Its IUPAC name is 1-[(1R)-3,3,3-trifluoro-1-phenylpropyl]piperazine;hydrochloride.

Molecular Properties

Compound Name1-[(1R)-3,3,3-trifluoro-1-phenylpropyl]piperazine;hydrochloride
PubChem CID171172722
Molecular FormulaC13H18ClF3N2
Molecular Weight294.75 g/mol
Exact Mass294.11
IUPAC Name1-[(1R)-3,3,3-trifluoro-1-phenylpropyl]piperazine;hydrochloride
SMILESCl.FC(F)(F)C[C@H](c1ccccc1)N1CCNCC1
InChIInChI=1S/C13H17F3N2.ClH/c14-13(15,16)10-12(11-4-2-1-3-5-11)18-8-6-17-7-9-18;/h1-5,12,17H,6-10H2;1H/t12-;/m1./s1
InChIKeyYSHDXCRLKOJZAM-UTONKHPSSA-N
XLogP3.01
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.75
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(1R)-3,3,3-trifluoro-1-(4-iodophenyl)propyl]piperazine;dihydrochloride
CID 171303530
1-[(1S)-1-(4-bromophenyl)-3,3,3-trifluoropropyl]piperazine;hydrochloride
CID 171163089
1-[(1S)-3,3,3-trifluoro-1-pyridin-4-ylpropyl]piperazine;dihydrochloride
CID 171302429
1-[(1R)-2-fluoro-1-phenylethyl]piperazine;dihydrochloride
CID 171282898
1-[(1R)-1-(4-ethylphenyl)-3,3,3-trifluoropropyl]piperazine;dihydrochloride
CID 171303944
1-[(1S)-3,3,3-trifluoro-1-(3-methylphenyl)propyl]piperazine
CID 171166539
1-[(1R)-1-(4-tert-butylphenyl)-3,3,3-trifluoropropyl]piperazine
CID 171169001
1-[(1R)-1-(3,4-difluorophenyl)-3,3,3-trifluoropropyl]piperazine;hydrochloride
CID 171172047
1-[(1R)-3,3,3-trifluoro-1-[4-(trifluoromethylsulfanyl)phenyl]propyl]piperazine
CID 171170586
1-[(1S)-1-(2-bromophenyl)-3,3,3-trifluoropropyl]piperazine;hydrochloride
CID 171162720
1-[(1R)-3-fluoro-1-phenylpropyl]piperazine;hydrochloride
CID 171172730
3-[(1R)-3,3,3-trifluoro-1-piperazin-1-ylpropyl]benzonitrile
CID 171303452

Frequently Asked Questions

What is the IUPAC name of 1-[(1R)-3,3,3-trifluoro-1-phenylpropyl]piperazine;hydrochloride?
The IUPAC name of 1-[(1R)-3,3,3-trifluoro-1-phenylpropyl]piperazine;hydrochloride (CID 171172722) is 1-[(1R)-3,3,3-trifluoro-1-phenylpropyl]piperazine;hydrochloride.
What is the SMILES notation for 1-[(1R)-3,3,3-trifluoro-1-phenylpropyl]piperazine;hydrochloride?
The canonical SMILES for 1-[(1R)-3,3,3-trifluoro-1-phenylpropyl]piperazine;hydrochloride is Cl.FC(F)(F)C[C@H](c1ccccc1)N1CCNCC1.
What is the InChIKey of 1-[(1R)-3,3,3-trifluoro-1-phenylpropyl]piperazine;hydrochloride?
The InChIKey is YSHDXCRLKOJZAM-UTONKHPSSA-N. The full InChI is InChI=1S/C13H17F3N2.ClH/c14-13(15,16)10-12(11-4-2-1-3-5-11)18-8-6-17-7-9-18;/h1-5,12,17H,6-10H2;1H/t12-;/m1./s1.
What are the key properties of 1-[(1R)-3,3,3-trifluoro-1-phenylpropyl]piperazine;hydrochloride?
1-[(1R)-3,3,3-trifluoro-1-phenylpropyl]piperazine;hydrochloride has a molecular weight of 294.75 g/mol, XLogP of 3.01, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1R)-3,3,3-trifluoro-1-phenylpropyl]piperazine;hydrochloride is sourced from PubChem (CID 171172722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).