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

C15H22ClFN2 — CID 171169591

IUPAC1-[(1R)-1-(2-chloro-4-fluorophenyl)pentyl]piperazine
SMILESCCCC[C@H](c1ccc(F)cc1Cl)N1CCNCC1
InChIInChI=1S/C15H22ClFN2/c1-2-3-4-15(19-9-7-18-8-10-19)13-6-5-12(17)11-14(13)16/h5-6,11,15,18H,2-4,7-10H2,1H3/t15-/m1/s1
InChIKeyWBXWHLFTRMLAFN-OAHLLOKOSA-N
MW284.81 g/mol
LogP3.62
Rot. Bonds5

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

1-[(1R)-1-(2-chloro-4-fluorophenyl)pentyl]piperazine (PubChem CID 171169591) has the molecular formula C15H22ClFN2 and a molecular weight of 284.81 g/mol. Its IUPAC name is 1-[(1R)-1-(2-chloro-4-fluorophenyl)pentyl]piperazine.

Molecular Properties

Compound Name1-[(1R)-1-(2-chloro-4-fluorophenyl)pentyl]piperazine
PubChem CID171169591
Molecular FormulaC15H22ClFN2
Molecular Weight284.81 g/mol
Exact Mass284.15
IUPAC Name1-[(1R)-1-(2-chloro-4-fluorophenyl)pentyl]piperazine
SMILESCCCC[C@H](c1ccc(F)cc1Cl)N1CCNCC1
InChIInChI=1S/C15H22ClFN2/c1-2-3-4-15(19-9-7-18-8-10-19)13-6-5-12(17)11-14(13)16/h5-6,11,15,18H,2-4,7-10H2,1H3/t15-/m1/s1
InChIKeyWBXWHLFTRMLAFN-OAHLLOKOSA-N
XLogP3.62
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.81
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(1S)-1-(2-chloro-5-fluorophenyl)pentyl]piperazine;hydrochloride
CID 171164586
1-[(1R)-1-(2-chloro-4-fluorophenyl)butyl]piperazine;dihydrochloride
CID 171289658
(4R)-4-(2-chloro-4-fluorophenyl)-4-piperazin-1-ylbutan-1-ol
CID 171173584
1-[1-(2,4-dichlorophenyl)pentyl]piperazine
CID 5226884
3-chloro-N,N-dimethyl-4-[(1R)-1-piperazin-1-ylpentyl]aniline
CID 171308229
3-chloro-N,N-dimethyl-4-[(1S)-1-piperazin-1-ylpentyl]aniline
CID 171309527
1-[(1S)-1-(2,4-difluorophenyl)hexyl]piperazine;dihydrochloride
CID 171308638
1-[(1R)-1-(5-fluoro-2-methylphenyl)pentyl]piperazine;dihydrochloride
CID 171307766
1-[(1S)-1-(2,4-difluorophenyl)hexyl]piperazine;hydrochloride
CID 171163026
1-[(1S)-1-(2-bromo-5-fluorophenyl)pentyl]piperazine
CID 171163752
2-(2-chloro-4-fluorophenyl)-2-piperazin-1-ylethanol
CID 114064745
1-[(1S)-1-(5-bromo-2-chlorophenyl)pentyl]piperazine
CID 171309037

Frequently Asked Questions

What is the IUPAC name of 1-[(1R)-1-(2-chloro-4-fluorophenyl)pentyl]piperazine?
The IUPAC name of 1-[(1R)-1-(2-chloro-4-fluorophenyl)pentyl]piperazine (CID 171169591) is 1-[(1R)-1-(2-chloro-4-fluorophenyl)pentyl]piperazine.
What is the SMILES notation for 1-[(1R)-1-(2-chloro-4-fluorophenyl)pentyl]piperazine?
The canonical SMILES for 1-[(1R)-1-(2-chloro-4-fluorophenyl)pentyl]piperazine is CCCC[C@H](c1ccc(F)cc1Cl)N1CCNCC1.
What is the InChIKey of 1-[(1R)-1-(2-chloro-4-fluorophenyl)pentyl]piperazine?
The InChIKey is WBXWHLFTRMLAFN-OAHLLOKOSA-N. The full InChI is InChI=1S/C15H22ClFN2/c1-2-3-4-15(19-9-7-18-8-10-19)13-6-5-12(17)11-14(13)16/h5-6,11,15,18H,2-4,7-10H2,1H3/t15-/m1/s1.
What are the key properties of 1-[(1R)-1-(2-chloro-4-fluorophenyl)pentyl]piperazine?
1-[(1R)-1-(2-chloro-4-fluorophenyl)pentyl]piperazine has a molecular weight of 284.81 g/mol, XLogP of 3.62, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1R)-1-(2-chloro-4-fluorophenyl)pentyl]piperazine is sourced from PubChem (CID 171169591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).