1-[(1R)-1-(3-chloro-5-fluorophenyl)pentyl]piperazine

C15H22ClFN2 — CID 171169830

IUPAC1-[(1R)-1-(3-chloro-5-fluorophenyl)pentyl]piperazine
SMILESCCCC[C@H](c1cc(F)cc(Cl)c1)N1CCNCC1
InChIInChI=1S/C15H22ClFN2/c1-2-3-4-15(19-7-5-18-6-8-19)12-9-13(16)11-14(17)10-12/h9-11,15,18H,2-8H2,1H3/t15-/m1/s1
InChIKeyNJDMVOYJLPJVCZ-OAHLLOKOSA-N
MW284.81 g/mol
LogP3.62
Rot. Bonds5

About 1-[(1R)-1-(3-chloro-5-fluorophenyl)pentyl]piperazine

1-[(1R)-1-(3-chloro-5-fluorophenyl)pentyl]piperazine (PubChem CID 171169830) has the molecular formula C15H22ClFN2 and a molecular weight of 284.81 g/mol. Its IUPAC name is 1-[(1R)-1-(3-chloro-5-fluorophenyl)pentyl]piperazine.

Molecular Properties

Compound Name1-[(1R)-1-(3-chloro-5-fluorophenyl)pentyl]piperazine
PubChem CID171169830
Molecular FormulaC15H22ClFN2
Molecular Weight284.81 g/mol
Exact Mass284.15
IUPAC Name1-[(1R)-1-(3-chloro-5-fluorophenyl)pentyl]piperazine
SMILESCCCC[C@H](c1cc(F)cc(Cl)c1)N1CCNCC1
InChIInChI=1S/C15H22ClFN2/c1-2-3-4-15(19-7-5-18-6-8-19)12-9-13(16)11-14(17)10-12/h9-11,15,18H,2-8H2,1H3/t15-/m1/s1
InChIKeyNJDMVOYJLPJVCZ-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-(3-chloro-5-fluorophenyl)butyl]piperazine;dihydrochloride
CID 171277333
1-[(1S)-1-(3,5-dichlorophenyl)pentyl]piperazine
CID 171308919
1-[(1R)-1-(3-chloro-5-fluorophenyl)-4-methylpentyl]piperazine
CID 171310903
1-[(1S)-1-(3,5-difluorophenyl)hexyl]piperazine;hydrochloride
CID 171164403
(3S)-3-(3-chloro-5-fluorophenyl)-3-piperazin-1-ylpropan-1-ol;hydrochloride
CID 171174371
1-[(1S)-1-(3-bromo-5-fluorophenyl)pentyl]piperazine;dihydrochloride
CID 171309031
1-[(1S)-1-(3-chloro-5-fluorophenyl)-4,4,4-trifluorobutyl]piperazine;dihydrochloride
CID 171302675
1-[(1S)-1-[3-chloro-5-(trifluoromethyl)phenyl]pentyl]piperazine;dihydrochloride
CID 171309701
1-[(1S)-1-(3,5-difluorophenyl)butyl]piperazine
CID 171164364
1-[(1R)-1-(3-chloro-5-fluorophenyl)hept-6-enyl]piperazine;hydrochloride
CID 171169861
1-[(1S)-1-(4-chloro-2,6-difluorophenyl)pentyl]piperazine;hydrochloride
CID 171166930
1-[(1S)-1-(3-chlorophenyl)pentyl]piperazine;dihydrochloride
CID 171308680

Frequently Asked Questions

What is the IUPAC name of 1-[(1R)-1-(3-chloro-5-fluorophenyl)pentyl]piperazine?
The IUPAC name of 1-[(1R)-1-(3-chloro-5-fluorophenyl)pentyl]piperazine (CID 171169830) is 1-[(1R)-1-(3-chloro-5-fluorophenyl)pentyl]piperazine.
What is the SMILES notation for 1-[(1R)-1-(3-chloro-5-fluorophenyl)pentyl]piperazine?
The canonical SMILES for 1-[(1R)-1-(3-chloro-5-fluorophenyl)pentyl]piperazine is CCCC[C@H](c1cc(F)cc(Cl)c1)N1CCNCC1.
What is the InChIKey of 1-[(1R)-1-(3-chloro-5-fluorophenyl)pentyl]piperazine?
The InChIKey is NJDMVOYJLPJVCZ-OAHLLOKOSA-N. The full InChI is InChI=1S/C15H22ClFN2/c1-2-3-4-15(19-7-5-18-6-8-19)12-9-13(16)11-14(17)10-12/h9-11,15,18H,2-8H2,1H3/t15-/m1/s1.
What are the key properties of 1-[(1R)-1-(3-chloro-5-fluorophenyl)pentyl]piperazine?
1-[(1R)-1-(3-chloro-5-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-(3-chloro-5-fluorophenyl)pentyl]piperazine is sourced from PubChem (CID 171169830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).