1-[(1R)-1-(4-chloro-2-fluorophenyl)-3-fluoropropyl]piperazine

C13H17ClF2N2 — CID 171169195

IUPAC1-[(1R)-1-(4-chloro-2-fluorophenyl)-3-fluoropropyl]piperazine
SMILESFCC[C@H](c1ccc(Cl)cc1F)N1CCNCC1
InChIInChI=1S/C13H17ClF2N2/c14-10-1-2-11(12(16)9-10)13(3-4-15)18-7-5-17-6-8-18/h1-2,9,13,17H,3-8H2/t13-/m1/s1
InChIKeyZDBBNNAYDJNTKA-CYBMUJFWSA-N
MW274.74 g/mol
LogP2.79
Rot. Bonds4

About 1-[(1R)-1-(4-chloro-2-fluorophenyl)-3-fluoropropyl]piperazine

1-[(1R)-1-(4-chloro-2-fluorophenyl)-3-fluoropropyl]piperazine (PubChem CID 171169195) has the molecular formula C13H17ClF2N2 and a molecular weight of 274.74 g/mol. Its IUPAC name is 1-[(1R)-1-(4-chloro-2-fluorophenyl)-3-fluoropropyl]piperazine.

Molecular Properties

Compound Name1-[(1R)-1-(4-chloro-2-fluorophenyl)-3-fluoropropyl]piperazine
PubChem CID171169195
Molecular FormulaC13H17ClF2N2
Molecular Weight274.74 g/mol
Exact Mass274.10
IUPAC Name1-[(1R)-1-(4-chloro-2-fluorophenyl)-3-fluoropropyl]piperazine
SMILESFCC[C@H](c1ccc(Cl)cc1F)N1CCNCC1
InChIInChI=1S/C13H17ClF2N2/c14-10-1-2-11(12(16)9-10)13(3-4-15)18-7-5-17-6-8-18/h1-2,9,13,17H,3-8H2/t13-/m1/s1
InChIKeyZDBBNNAYDJNTKA-CYBMUJFWSA-N
XLogP2.79
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.74
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(1S)-1-(4-chloro-2-fluorophenyl)-4,4,4-trifluorobutyl]piperazine;dihydrochloride
CID 171302569
(4S)-4-(4-chloro-2-fluorophenyl)-4-piperazin-1-ylbutan-1-ol
CID 171174262
1-[(1S)-1-(2-bromo-4-chlorophenyl)-3-fluoropropyl]piperazine
CID 171163975
(2R)-2-(4-chloro-2-fluorophenyl)-2-piperazin-1-ylethanol
CID 171174264
1-[(1S)-1-(4-bromo-2-fluorophenyl)-3-fluoropropyl]piperazine
CID 171163112
4-chloro-2-[(1R)-3-fluoro-1-piperazin-1-ylpropyl]phenol
CID 171167978
1-[(1R)-1-[4-chloro-2-(trifluoromethyl)phenyl]-3-fluoropropyl]piperazine;hydrochloride
CID 171170804
1-[(1S)-1-(2-bromo-5-chlorophenyl)-3-fluoropropyl]piperazine;hydrochloride
CID 171163964
1-[(1S)-1-(2-chloro-5-fluorophenyl)-3-fluoropropyl]piperazine
CID 171164488
1-[(1S)-3-fluoro-1-[2-fluoro-4-(trifluoromethyl)phenyl]propyl]piperazine;hydrochloride
CID 171165308
1-[(1R)-3-fluoro-1-(2-fluorophenyl)propyl]piperazine;hydrochloride
CID 171168334
1-[(1S)-1-(4-bromo-2-chlorophenyl)-3-fluoropropyl]piperazine
CID 171164041

Frequently Asked Questions

What is the IUPAC name of 1-[(1R)-1-(4-chloro-2-fluorophenyl)-3-fluoropropyl]piperazine?
The IUPAC name of 1-[(1R)-1-(4-chloro-2-fluorophenyl)-3-fluoropropyl]piperazine (CID 171169195) is 1-[(1R)-1-(4-chloro-2-fluorophenyl)-3-fluoropropyl]piperazine.
What is the SMILES notation for 1-[(1R)-1-(4-chloro-2-fluorophenyl)-3-fluoropropyl]piperazine?
The canonical SMILES for 1-[(1R)-1-(4-chloro-2-fluorophenyl)-3-fluoropropyl]piperazine is FCC[C@H](c1ccc(Cl)cc1F)N1CCNCC1.
What is the InChIKey of 1-[(1R)-1-(4-chloro-2-fluorophenyl)-3-fluoropropyl]piperazine?
The InChIKey is ZDBBNNAYDJNTKA-CYBMUJFWSA-N. The full InChI is InChI=1S/C13H17ClF2N2/c14-10-1-2-11(12(16)9-10)13(3-4-15)18-7-5-17-6-8-18/h1-2,9,13,17H,3-8H2/t13-/m1/s1.
What are the key properties of 1-[(1R)-1-(4-chloro-2-fluorophenyl)-3-fluoropropyl]piperazine?
1-[(1R)-1-(4-chloro-2-fluorophenyl)-3-fluoropropyl]piperazine has a molecular weight of 274.74 g/mol, XLogP of 2.79, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1R)-1-(4-chloro-2-fluorophenyl)-3-fluoropropyl]piperazine is sourced from PubChem (CID 171169195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).