1-[(1R)-3-fluoro-1-(2-fluoro-3-methoxyphenyl)propyl]piperazine

C14H20F2N2O — CID 171170313

IUPAC1-[(1R)-3-fluoro-1-(2-fluoro-3-methoxyphenyl)propyl]piperazine
SMILESCOc1cccc([C@@H](CCF)N2CCNCC2)c1F
InChIInChI=1S/C14H20F2N2O/c1-19-13-4-2-3-11(14(13)16)12(5-6-15)18-9-7-17-8-10-18/h2-4,12,17H,5-10H2,1H3/t12-/m1/s1
InChIKeyYNBUYSVPBKPXTI-GFCCVEGCSA-N
MW270.32 g/mol
LogP2.14
Rot. Bonds5

About 1-[(1R)-3-fluoro-1-(2-fluoro-3-methoxyphenyl)propyl]piperazine

1-[(1R)-3-fluoro-1-(2-fluoro-3-methoxyphenyl)propyl]piperazine (PubChem CID 171170313) has the molecular formula C14H20F2N2O and a molecular weight of 270.32 g/mol. Its IUPAC name is 1-[(1R)-3-fluoro-1-(2-fluoro-3-methoxyphenyl)propyl]piperazine.

Molecular Properties

Compound Name1-[(1R)-3-fluoro-1-(2-fluoro-3-methoxyphenyl)propyl]piperazine
PubChem CID171170313
Molecular FormulaC14H20F2N2O
Molecular Weight270.32 g/mol
Exact Mass270.15
IUPAC Name1-[(1R)-3-fluoro-1-(2-fluoro-3-methoxyphenyl)propyl]piperazine
SMILESCOc1cccc([C@@H](CCF)N2CCNCC2)c1F
InChIInChI=1S/C14H20F2N2O/c1-19-13-4-2-3-11(14(13)16)12(5-6-15)18-9-7-17-8-10-18/h2-4,12,17H,5-10H2,1H3/t12-/m1/s1
InChIKeyYNBUYSVPBKPXTI-GFCCVEGCSA-N
XLogP2.14
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.32
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(1S)-1-(2-fluoro-3-methoxyphenyl)butyl]piperazine
CID 171164843
1-[(1R)-2-fluoro-1-(2-fluoro-3-methoxyphenyl)ethyl]piperazine;hydrochloride
CID 171182531
1-[(1R)-1-(2-fluoro-3-methoxyphenyl)propyl]piperazine
CID 171170213
(4R)-4-(2-fluoro-3-methoxyphenyl)-4-piperazin-1-ylbutan-1-ol
CID 171173679
1-[(1R)-1-(2,3-dimethoxyphenyl)-3-fluoropropyl]piperazine
CID 171168476
1-[(1S)-1-(2,3-dimethoxyphenyl)-3-fluoropropyl]piperazine;hydrochloride
CID 171163017
1-[(1R)-1-(2-fluoro-3-methoxyphenyl)but-3-enyl]piperazine;dihydrochloride
CID 171290555
1-[(1R)-3-fluoro-1-(5-fluoro-2-methoxyphenyl)propyl]piperazine;hydrochloride
CID 171170190
1-[(1R)-1-(2-fluoro-3-methoxyphenyl)hept-6-enyl]piperazine;hydrochloride
CID 171170282
1-[(1R)-2-fluoro-1-(2-methoxyphenyl)ethyl]piperazine;hydrochloride
CID 171182348
2-[(1S)-3-fluoro-1-piperazin-1-ylpropyl]-3-methoxyphenol;hydrochloride
CID 171167951
1-[(1R)-3-fluoro-1-[2-fluoro-3-(trifluoromethyl)phenyl]propyl]piperazine;hydrochloride
CID 171170871

Frequently Asked Questions

What is the IUPAC name of 1-[(1R)-3-fluoro-1-(2-fluoro-3-methoxyphenyl)propyl]piperazine?
The IUPAC name of 1-[(1R)-3-fluoro-1-(2-fluoro-3-methoxyphenyl)propyl]piperazine (CID 171170313) is 1-[(1R)-3-fluoro-1-(2-fluoro-3-methoxyphenyl)propyl]piperazine.
What is the SMILES notation for 1-[(1R)-3-fluoro-1-(2-fluoro-3-methoxyphenyl)propyl]piperazine?
The canonical SMILES for 1-[(1R)-3-fluoro-1-(2-fluoro-3-methoxyphenyl)propyl]piperazine is COc1cccc([C@@H](CCF)N2CCNCC2)c1F.
What is the InChIKey of 1-[(1R)-3-fluoro-1-(2-fluoro-3-methoxyphenyl)propyl]piperazine?
The InChIKey is YNBUYSVPBKPXTI-GFCCVEGCSA-N. The full InChI is InChI=1S/C14H20F2N2O/c1-19-13-4-2-3-11(14(13)16)12(5-6-15)18-9-7-17-8-10-18/h2-4,12,17H,5-10H2,1H3/t12-/m1/s1.
What are the key properties of 1-[(1R)-3-fluoro-1-(2-fluoro-3-methoxyphenyl)propyl]piperazine?
1-[(1R)-3-fluoro-1-(2-fluoro-3-methoxyphenyl)propyl]piperazine has a molecular weight of 270.32 g/mol, XLogP of 2.14, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1R)-3-fluoro-1-(2-fluoro-3-methoxyphenyl)propyl]piperazine is sourced from PubChem (CID 171170313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).