1-[(1R)-3-fluoro-1-(2-fluorophenyl)propyl]piperazine;hydrochloride

C13H19ClF2N2 — CID 171168334

IUPAC1-[(1R)-3-fluoro-1-(2-fluorophenyl)propyl]piperazine;hydrochloride
SMILESCl.FCC[C@H](c1ccccc1F)N1CCNCC1
InChIInChI=1S/C13H18F2N2.ClH/c14-6-5-13(17-9-7-16-8-10-17)11-3-1-2-4-12(11)15;/h1-4,13,16H,5-10H2;1H/t13-;/m1./s1
InChIKeyYKLXMILLYFSYDC-BTQNPOSSSA-N
MW276.76 g/mol
LogP2.55
Rot. Bonds4

About 1-[(1R)-3-fluoro-1-(2-fluorophenyl)propyl]piperazine;hydrochloride

1-[(1R)-3-fluoro-1-(2-fluorophenyl)propyl]piperazine;hydrochloride (PubChem CID 171168334) has the molecular formula C13H19ClF2N2 and a molecular weight of 276.76 g/mol. Its IUPAC name is 1-[(1R)-3-fluoro-1-(2-fluorophenyl)propyl]piperazine;hydrochloride.

Molecular Properties

Compound Name1-[(1R)-3-fluoro-1-(2-fluorophenyl)propyl]piperazine;hydrochloride
PubChem CID171168334
Molecular FormulaC13H19ClF2N2
Molecular Weight276.76 g/mol
Exact Mass276.12
IUPAC Name1-[(1R)-3-fluoro-1-(2-fluorophenyl)propyl]piperazine;hydrochloride
SMILESCl.FCC[C@H](c1ccccc1F)N1CCNCC1
InChIInChI=1S/C13H18F2N2.ClH/c14-6-5-13(17-9-7-16-8-10-17)11-3-1-2-4-12(11)15;/h1-4,13,16H,5-10H2;1H/t13-;/m1./s1
InChIKeyYKLXMILLYFSYDC-BTQNPOSSSA-N
XLogP2.55
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.76
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(1S)-2-fluoro-1-(2-fluorophenyl)ethyl]piperazine;dihydrochloride
CID 171285841
(3S)-3-(2-fluorophenyl)-3-piperazin-1-ylpropan-1-ol;hydrochloride
CID 171174180
(4S)-4-(2-fluorophenyl)-4-piperazin-1-ylbutan-1-ol;hydrochloride
CID 171174171
1-[(1R)-3-fluoro-1-(2-iodophenyl)propyl]piperazine
CID 171172200
1-[(1S)-1-(2-fluorophenyl)hexyl]piperazine;dihydrochloride
CID 171308642
1-[(1R)-1-(2-fluorophenyl)hexyl]piperazine
CID 171168263
1-[(1S)-1-[2-(4-chlorophenyl)sulfanylphenyl]-3-fluoropropyl]piperazine;hydrochloride
CID 171167494
1-[(1R)-1-(2-ethoxyphenyl)-3-fluoropropyl]piperazine;hydrochloride
CID 171169097
1-[(1S)-3-fluoro-1-[2-(trifluoromethoxy)phenyl]propyl]piperazine;hydrochloride
CID 171166620
1-[(1R)-3-fluoro-1-phenylpropyl]piperazine;hydrochloride
CID 171172730
1-[(1R)-1-(4-chloro-2-fluorophenyl)-3-fluoropropyl]piperazine
CID 171169195
1-[(1S)-1-[2-(difluoromethoxy)phenyl]-3-fluoropropyl]piperazine
CID 171166965

Frequently Asked Questions

What is the IUPAC name of 1-[(1R)-3-fluoro-1-(2-fluorophenyl)propyl]piperazine;hydrochloride?
The IUPAC name of 1-[(1R)-3-fluoro-1-(2-fluorophenyl)propyl]piperazine;hydrochloride (CID 171168334) is 1-[(1R)-3-fluoro-1-(2-fluorophenyl)propyl]piperazine;hydrochloride.
What is the SMILES notation for 1-[(1R)-3-fluoro-1-(2-fluorophenyl)propyl]piperazine;hydrochloride?
The canonical SMILES for 1-[(1R)-3-fluoro-1-(2-fluorophenyl)propyl]piperazine;hydrochloride is Cl.FCC[C@H](c1ccccc1F)N1CCNCC1.
What is the InChIKey of 1-[(1R)-3-fluoro-1-(2-fluorophenyl)propyl]piperazine;hydrochloride?
The InChIKey is YKLXMILLYFSYDC-BTQNPOSSSA-N. The full InChI is InChI=1S/C13H18F2N2.ClH/c14-6-5-13(17-9-7-16-8-10-17)11-3-1-2-4-12(11)15;/h1-4,13,16H,5-10H2;1H/t13-;/m1./s1.
What are the key properties of 1-[(1R)-3-fluoro-1-(2-fluorophenyl)propyl]piperazine;hydrochloride?
1-[(1R)-3-fluoro-1-(2-fluorophenyl)propyl]piperazine;hydrochloride has a molecular weight of 276.76 g/mol, XLogP of 2.55, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1R)-3-fluoro-1-(2-fluorophenyl)propyl]piperazine;hydrochloride is sourced from PubChem (CID 171168334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).