1-[(1S)-1-(3,5-difluorophenyl)-3-fluoropropyl]piperazine

C13H17F3N2 — CID 171164456

IUPAC1-[(1S)-1-(3,5-difluorophenyl)-3-fluoropropyl]piperazine
SMILESFCC[C@@H](c1cc(F)cc(F)c1)N1CCNCC1
InChIInChI=1S/C13H17F3N2/c14-2-1-13(18-5-3-17-4-6-18)10-7-11(15)9-12(16)8-10/h7-9,13,17H,1-6H2/t13-/m0/s1
InChIKeyWZZSNNYZGLKLEE-ZDUSSCGKSA-N
MW258.29 g/mol
LogP2.27
Rot. Bonds4

About 1-[(1S)-1-(3,5-difluorophenyl)-3-fluoropropyl]piperazine

1-[(1S)-1-(3,5-difluorophenyl)-3-fluoropropyl]piperazine (PubChem CID 171164456) has the molecular formula C13H17F3N2 and a molecular weight of 258.29 g/mol. Its IUPAC name is 1-[(1S)-1-(3,5-difluorophenyl)-3-fluoropropyl]piperazine.

Molecular Properties

Compound Name1-[(1S)-1-(3,5-difluorophenyl)-3-fluoropropyl]piperazine
PubChem CID171164456
Molecular FormulaC13H17F3N2
Molecular Weight258.29 g/mol
Exact Mass258.13
IUPAC Name1-[(1S)-1-(3,5-difluorophenyl)-3-fluoropropyl]piperazine
SMILESFCC[C@@H](c1cc(F)cc(F)c1)N1CCNCC1
InChIInChI=1S/C13H17F3N2/c14-2-1-13(18-5-3-17-4-6-18)10-7-11(15)9-12(16)8-10/h7-9,13,17H,1-6H2/t13-/m0/s1
InChIKeyWZZSNNYZGLKLEE-ZDUSSCGKSA-N
XLogP2.27
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.29
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(1S)-1-(3,5-difluorophenyl)-2-fluoroethyl]piperazine;hydrochloride
CID 171181888
1-[(1S)-1-(3,5-difluorophenyl)-4,4,4-trifluorobutyl]piperazine
CID 171164426
1-[(1S)-3-fluoro-1-(3,4,5-trifluorophenyl)propyl]piperazine
CID 171164913
1-[(1S)-1-(3,5-difluorophenyl)butyl]piperazine
CID 171164364
1-[(1R)-3-fluoro-1-(3,4,5-trifluorophenyl)propyl]piperazine
CID 171170267
1-[(1R)-3-fluoro-1-(2,4,6-trifluorophenyl)propyl]piperazine
CID 171169905
5-[(1R)-3-fluoro-1-piperazin-1-ylpropyl]benzene-1,3-diol;hydrochloride
CID 171168463
1-[(1S)-1-(3,5-difluorophenyl)hexyl]piperazine;hydrochloride
CID 171164403
(2S)-2-(3,5-difluorophenyl)-2-piperazin-1-ylethanol;hydrochloride
CID 171173593
4-[(1R)-3-fluoro-1-piperazin-1-ylpropyl]-2,6-diiodophenol
CID 171173141
1-[(1S)-1-(3,5-difluorophenyl)hept-6-enyl]piperazine
CID 171164418
1-[(1S)-1-(4-bromo-3-fluorophenyl)-3-fluoropropyl]piperazine;hydrochloride
CID 171163574

Frequently Asked Questions

What is the IUPAC name of 1-[(1S)-1-(3,5-difluorophenyl)-3-fluoropropyl]piperazine?
The IUPAC name of 1-[(1S)-1-(3,5-difluorophenyl)-3-fluoropropyl]piperazine (CID 171164456) is 1-[(1S)-1-(3,5-difluorophenyl)-3-fluoropropyl]piperazine.
What is the SMILES notation for 1-[(1S)-1-(3,5-difluorophenyl)-3-fluoropropyl]piperazine?
The canonical SMILES for 1-[(1S)-1-(3,5-difluorophenyl)-3-fluoropropyl]piperazine is FCC[C@@H](c1cc(F)cc(F)c1)N1CCNCC1.
What is the InChIKey of 1-[(1S)-1-(3,5-difluorophenyl)-3-fluoropropyl]piperazine?
The InChIKey is WZZSNNYZGLKLEE-ZDUSSCGKSA-N. The full InChI is InChI=1S/C13H17F3N2/c14-2-1-13(18-5-3-17-4-6-18)10-7-11(15)9-12(16)8-10/h7-9,13,17H,1-6H2/t13-/m0/s1.
What are the key properties of 1-[(1S)-1-(3,5-difluorophenyl)-3-fluoropropyl]piperazine?
1-[(1S)-1-(3,5-difluorophenyl)-3-fluoropropyl]piperazine has a molecular weight of 258.29 g/mol, XLogP of 2.27, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1S)-1-(3,5-difluorophenyl)-3-fluoropropyl]piperazine is sourced from PubChem (CID 171164456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).