1-[(1S)-1-(2-chloro-5-fluorophenyl)-3-fluoropropyl]piperazine

C13H17ClF2N2 — CID 171164488

IUPAC1-[(1S)-1-(2-chloro-5-fluorophenyl)-3-fluoropropyl]piperazine
SMILESFCC[C@@H](c1cc(F)ccc1Cl)N1CCNCC1
InChIInChI=1S/C13H17ClF2N2/c14-12-2-1-10(16)9-11(12)13(3-4-15)18-7-5-17-6-8-18/h1-2,9,13,17H,3-8H2/t13-/m0/s1
InChIKeyAYVDRAYPBAIOOF-ZDUSSCGKSA-N
MW274.74 g/mol
LogP2.79
Rot. Bonds4

About 1-[(1S)-1-(2-chloro-5-fluorophenyl)-3-fluoropropyl]piperazine

1-[(1S)-1-(2-chloro-5-fluorophenyl)-3-fluoropropyl]piperazine (PubChem CID 171164488) has the molecular formula C13H17ClF2N2 and a molecular weight of 274.74 g/mol. Its IUPAC name is 1-[(1S)-1-(2-chloro-5-fluorophenyl)-3-fluoropropyl]piperazine.

Molecular Properties

Compound Name1-[(1S)-1-(2-chloro-5-fluorophenyl)-3-fluoropropyl]piperazine
PubChem CID171164488
Molecular FormulaC13H17ClF2N2
Molecular Weight274.74 g/mol
Exact Mass274.10
IUPAC Name1-[(1S)-1-(2-chloro-5-fluorophenyl)-3-fluoropropyl]piperazine
SMILESFCC[C@@H](c1cc(F)ccc1Cl)N1CCNCC1
InChIInChI=1S/C13H17ClF2N2/c14-12-2-1-10(16)9-11(12)13(3-4-15)18-7-5-17-6-8-18/h1-2,9,13,17H,3-8H2/t13-/m0/s1
InChIKeyAYVDRAYPBAIOOF-ZDUSSCGKSA-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-[(1R)-1-(2-chloro-5-fluorophenyl)-4,4,4-trifluorobutyl]piperazine
CID 171169817
(4R)-4-(2-chloro-5-fluorophenyl)-4-piperazin-1-ylbutan-1-ol
CID 171173625
1-[(1S)-1-(2-chloro-5-fluorophenyl)pentyl]piperazine;hydrochloride
CID 171164586
1-[(1R)-1-(2-chloro-5-fluorophenyl)-3,3-difluoropropyl]piperazine;hydrochloride
CID 171176451
1-[(1S)-3-fluoro-1-[5-fluoro-2-(trifluoromethyl)phenyl]propyl]piperazine;hydrochloride
CID 171166070
1-[(1R)-3-fluoro-1-(5-fluoro-2-methoxyphenyl)propyl]piperazine;hydrochloride
CID 171170190
1-[(1R)-1-(4-chloro-2-fluorophenyl)-3-fluoropropyl]piperazine
CID 171169195
1-[(1S)-1-(4-bromo-2-chlorophenyl)-3-fluoropropyl]piperazine
CID 171164041
(3R)-3-(2-chloro-5-fluorophenyl)-3-piperazin-1-ylpropanenitrile;dihydrochloride
CID 171306788
1-[(1R)-3-fluoro-1-(2,3,5-trifluorophenyl)propyl]piperazine;hydrochloride
CID 171170108
1-[(1R)-1-(2-chloro-4-fluorophenyl)butyl]piperazine;dihydrochloride
CID 171289658
1-[(1R)-1-(2,5-difluorophenyl)-2-fluoroethyl]piperazine
CID 171182462

Frequently Asked Questions

What is the IUPAC name of 1-[(1S)-1-(2-chloro-5-fluorophenyl)-3-fluoropropyl]piperazine?
The IUPAC name of 1-[(1S)-1-(2-chloro-5-fluorophenyl)-3-fluoropropyl]piperazine (CID 171164488) is 1-[(1S)-1-(2-chloro-5-fluorophenyl)-3-fluoropropyl]piperazine.
What is the SMILES notation for 1-[(1S)-1-(2-chloro-5-fluorophenyl)-3-fluoropropyl]piperazine?
The canonical SMILES for 1-[(1S)-1-(2-chloro-5-fluorophenyl)-3-fluoropropyl]piperazine is FCC[C@@H](c1cc(F)ccc1Cl)N1CCNCC1.
What is the InChIKey of 1-[(1S)-1-(2-chloro-5-fluorophenyl)-3-fluoropropyl]piperazine?
The InChIKey is AYVDRAYPBAIOOF-ZDUSSCGKSA-N. The full InChI is InChI=1S/C13H17ClF2N2/c14-12-2-1-10(16)9-11(12)13(3-4-15)18-7-5-17-6-8-18/h1-2,9,13,17H,3-8H2/t13-/m0/s1.
What are the key properties of 1-[(1S)-1-(2-chloro-5-fluorophenyl)-3-fluoropropyl]piperazine?
1-[(1S)-1-(2-chloro-5-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-[(1S)-1-(2-chloro-5-fluorophenyl)-3-fluoropropyl]piperazine is sourced from PubChem (CID 171164488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).