1-[(1R)-1-(2,3,4,5,6-pentafluorophenyl)pentyl]piperazine;hydrochloride

C15H20ClF5N2 — CID 171172183

IUPAC1-[(1R)-1-(2,3,4,5,6-pentafluorophenyl)pentyl]piperazine;hydrochloride
SMILESCCCC[C@H](c1c(F)c(F)c(F)c(F)c1F)N1CCNCC1.Cl
InChIInChI=1S/C15H19F5N2.ClH/c1-2-3-4-9(22-7-5-21-6-8-22)10-11(16)13(18)15(20)14(19)12(10)17;/h9,21H,2-8H2,1H3;1H/t9-;/m1./s1
InChIKeyQXBKSAIPOZCEEX-SBSPUUFOSA-N
MW358.78 g/mol
LogP3.94
Rot. Bonds5

About 1-[(1R)-1-(2,3,4,5,6-pentafluorophenyl)pentyl]piperazine;hydrochloride

1-[(1R)-1-(2,3,4,5,6-pentafluorophenyl)pentyl]piperazine;hydrochloride (PubChem CID 171172183) has the molecular formula C15H20ClF5N2 and a molecular weight of 358.78 g/mol. Its IUPAC name is 1-[(1R)-1-(2,3,4,5,6-pentafluorophenyl)pentyl]piperazine;hydrochloride.

Molecular Properties

Compound Name1-[(1R)-1-(2,3,4,5,6-pentafluorophenyl)pentyl]piperazine;hydrochloride
PubChem CID171172183
Molecular FormulaC15H20ClF5N2
Molecular Weight358.78 g/mol
Exact Mass358.12
IUPAC Name1-[(1R)-1-(2,3,4,5,6-pentafluorophenyl)pentyl]piperazine;hydrochloride
SMILESCCCC[C@H](c1c(F)c(F)c(F)c(F)c1F)N1CCNCC1.Cl
InChIInChI=1S/C15H19F5N2.ClH/c1-2-3-4-9(22-7-5-21-6-8-22)10-11(16)13(18)15(20)14(19)12(10)17;/h9,21H,2-8H2,1H3;1H/t9-;/m1./s1
InChIKeyQXBKSAIPOZCEEX-SBSPUUFOSA-N
XLogP3.94
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.78
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

1-[(1S)-1-(2,3,4,5,6-pentafluorophenyl)butyl]piperazine;hydrochloride
CID 171166800
1-[(1R)-1-(2,3,4,5,6-pentafluorophenyl)butyl]piperazine;hydrochloride
CID 171172161
1-[(1S)-1-(2,6-difluorophenyl)pentyl]piperazine;dihydrochloride
CID 171309043
1-[(1S)-1-(2,6-difluoro-3-methylphenyl)pentyl]piperazine;hydrochloride
CID 171166670
(3S)-3-(2,3,4,5,6-pentafluorophenyl)-3-piperazin-1-ylpropan-1-ol;hydrochloride
CID 171174773
1-[(1S)-1-(4-chloro-2,6-difluorophenyl)pentyl]piperazine;hydrochloride
CID 171166930
1-[(1S)-1-(2,3,4,5,6-pentafluorophenyl)hept-6-enyl]piperazine;hydrochloride
CID 171166846
1-[(1S)-1-(2-chloro-3,6-difluorophenyl)pentyl]piperazine
CID 171166244
1-[(1S)-1-(2,3,5,6-tetrafluorophenyl)butyl]piperazine
CID 171167033
1-[(1S)-1-(2-chloro-5-fluorophenyl)pentyl]piperazine;hydrochloride
CID 171164586
1-[(1R)-1-(2,6-difluoro-3-methoxyphenyl)pentyl]piperazine
CID 171173037
1-[(1R)-1-[3-chloro-2-fluoro-6-(trifluoromethyl)phenyl]hexyl]piperazine;dihydrochloride
CID 171308030

Frequently Asked Questions

What is the IUPAC name of 1-[(1R)-1-(2,3,4,5,6-pentafluorophenyl)pentyl]piperazine;hydrochloride?
The IUPAC name of 1-[(1R)-1-(2,3,4,5,6-pentafluorophenyl)pentyl]piperazine;hydrochloride (CID 171172183) is 1-[(1R)-1-(2,3,4,5,6-pentafluorophenyl)pentyl]piperazine;hydrochloride.
What is the SMILES notation for 1-[(1R)-1-(2,3,4,5,6-pentafluorophenyl)pentyl]piperazine;hydrochloride?
The canonical SMILES for 1-[(1R)-1-(2,3,4,5,6-pentafluorophenyl)pentyl]piperazine;hydrochloride is CCCC[C@H](c1c(F)c(F)c(F)c(F)c1F)N1CCNCC1.Cl.
What is the InChIKey of 1-[(1R)-1-(2,3,4,5,6-pentafluorophenyl)pentyl]piperazine;hydrochloride?
The InChIKey is QXBKSAIPOZCEEX-SBSPUUFOSA-N. The full InChI is InChI=1S/C15H19F5N2.ClH/c1-2-3-4-9(22-7-5-21-6-8-22)10-11(16)13(18)15(20)14(19)12(10)17;/h9,21H,2-8H2,1H3;1H/t9-;/m1./s1.
What are the key properties of 1-[(1R)-1-(2,3,4,5,6-pentafluorophenyl)pentyl]piperazine;hydrochloride?
1-[(1R)-1-(2,3,4,5,6-pentafluorophenyl)pentyl]piperazine;hydrochloride has a molecular weight of 358.78 g/mol, XLogP of 3.94, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1R)-1-(2,3,4,5,6-pentafluorophenyl)pentyl]piperazine;hydrochloride is sourced from PubChem (CID 171172183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).