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

C13H18ClFN2 — CID 96677014

IUPAC1-[(1S)-1-(5-chloro-2-fluorophenyl)propyl]piperazine
SMILESCC[C@@H](c1cc(Cl)ccc1F)N1CCNCC1
InChIInChI=1S/C13H18ClFN2/c1-2-13(17-7-5-16-6-8-17)11-9-10(14)3-4-12(11)15/h3-4,9,13,16H,2,5-8H2,1H3/t13-/m0/s1
InChIKeyAIVZLERGANEIJO-ZDUSSCGKSA-N
MW256.75 g/mol
LogP2.84
Rot. Bonds3

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

1-[(1S)-1-(5-chloro-2-fluorophenyl)propyl]piperazine (PubChem CID 96677014) has the molecular formula C13H18ClFN2 and a molecular weight of 256.75 g/mol. Its IUPAC name is 1-[(1S)-1-(5-chloro-2-fluorophenyl)propyl]piperazine.

Molecular Properties

Compound Name1-[(1S)-1-(5-chloro-2-fluorophenyl)propyl]piperazine
PubChem CID96677014
Molecular FormulaC13H18ClFN2
Molecular Weight256.75 g/mol
Exact Mass256.11
IUPAC Name1-[(1S)-1-(5-chloro-2-fluorophenyl)propyl]piperazine
SMILESCC[C@@H](c1cc(Cl)ccc1F)N1CCNCC1
InChIInChI=1S/C13H18ClFN2/c1-2-13(17-7-5-16-6-8-17)11-9-10(14)3-4-12(11)15/h3-4,9,13,16H,2,5-8H2,1H3/t13-/m0/s1
InChIKeyAIVZLERGANEIJO-ZDUSSCGKSA-N
XLogP2.84
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.75
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(1R)-1-(5-chloro-2-fluorophenyl)propyl]piperazine
CID 96677015
1-[(1S)-1-(2,5-difluorophenyl)propyl]piperazine;dihydrochloride
CID 171277042
1-[(1R)-1-(5-chloro-2-fluorophenyl)-3-methylbutyl]piperazine;hydrochloride
CID 171169098
1-[1-(2,5-difluorophenyl)propyl]-1,4-diazepane
CID 82298844
1-[(1R)-1-[2-fluoro-5-(trifluoromethyl)phenyl]propyl]piperazine
CID 171171793
1-[(1R)-1-(5-chloro-2-fluorophenyl)-3,3-difluoropropyl]piperazine;hydrochloride
CID 171175594
1-[(1R)-1-(2,4,5-trifluorophenyl)propyl]piperazine;dihydrochloride
CID 171292983
1-[(1S)-1-(5-chloro-2-fluorophenyl)-3,3,3-trifluoropropyl]piperazine;hydrochloride
CID 171163680
1-[(1R)-1-(5-chloro-2-fluorophenyl)-2-cyclopropylethyl]piperazine
CID 171169090
(4S)-4-(5-chloro-2-fluorophenyl)-4-piperazin-1-ylbutan-1-ol
CID 171174266
1-[(1S)-1-(3-chloro-4-fluorophenyl)propyl]piperazine
CID 96664875
1-[(1S)-1-(5-chloro-2-fluorophenyl)pent-4-enyl]piperazine
CID 171275471

Frequently Asked Questions

What is the IUPAC name of 1-[(1S)-1-(5-chloro-2-fluorophenyl)propyl]piperazine?
The IUPAC name of 1-[(1S)-1-(5-chloro-2-fluorophenyl)propyl]piperazine (CID 96677014) is 1-[(1S)-1-(5-chloro-2-fluorophenyl)propyl]piperazine.
What is the SMILES notation for 1-[(1S)-1-(5-chloro-2-fluorophenyl)propyl]piperazine?
The canonical SMILES for 1-[(1S)-1-(5-chloro-2-fluorophenyl)propyl]piperazine is CC[C@@H](c1cc(Cl)ccc1F)N1CCNCC1.
What is the InChIKey of 1-[(1S)-1-(5-chloro-2-fluorophenyl)propyl]piperazine?
The InChIKey is AIVZLERGANEIJO-ZDUSSCGKSA-N. The full InChI is InChI=1S/C13H18ClFN2/c1-2-13(17-7-5-16-6-8-17)11-9-10(14)3-4-12(11)15/h3-4,9,13,16H,2,5-8H2,1H3/t13-/m0/s1.
What are the key properties of 1-[(1S)-1-(5-chloro-2-fluorophenyl)propyl]piperazine?
1-[(1S)-1-(5-chloro-2-fluorophenyl)propyl]piperazine has a molecular weight of 256.75 g/mol, XLogP of 2.84, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1S)-1-(5-chloro-2-fluorophenyl)propyl]piperazine is sourced from PubChem (CID 96677014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).