1-[(1R)-1-(2,3,5,6-tetrafluorophenyl)propyl]piperazine;hydrochloride

C13H17ClF4N2 — CID 171172241

IUPAC1-[(1R)-1-(2,3,5,6-tetrafluorophenyl)propyl]piperazine;hydrochloride
SMILESCC[C@H](c1c(F)c(F)cc(F)c1F)N1CCNCC1.Cl
InChIInChI=1S/C13H16F4N2.ClH/c1-2-10(19-5-3-18-4-6-19)11-12(16)8(14)7-9(15)13(11)17;/h7,10,18H,2-6H2,1H3;1H/t10-;/m1./s1
InChIKeyQTTYWYZVFBXFGC-HNCPQSOCSA-N
MW312.74 g/mol
LogP3.02
Rot. Bonds3

About 1-[(1R)-1-(2,3,5,6-tetrafluorophenyl)propyl]piperazine;hydrochloride

1-[(1R)-1-(2,3,5,6-tetrafluorophenyl)propyl]piperazine;hydrochloride (PubChem CID 171172241) has the molecular formula C13H17ClF4N2 and a molecular weight of 312.74 g/mol. Its IUPAC name is 1-[(1R)-1-(2,3,5,6-tetrafluorophenyl)propyl]piperazine;hydrochloride.

Molecular Properties

Compound Name1-[(1R)-1-(2,3,5,6-tetrafluorophenyl)propyl]piperazine;hydrochloride
PubChem CID171172241
Molecular FormulaC13H17ClF4N2
Molecular Weight312.74 g/mol
Exact Mass312.10
IUPAC Name1-[(1R)-1-(2,3,5,6-tetrafluorophenyl)propyl]piperazine;hydrochloride
SMILESCC[C@H](c1c(F)c(F)cc(F)c1F)N1CCNCC1.Cl
InChIInChI=1S/C13H16F4N2.ClH/c1-2-10(19-5-3-18-4-6-19)11-12(16)8(14)7-9(15)13(11)17;/h7,10,18H,2-6H2,1H3;1H/t10-;/m1./s1
InChIKeyQTTYWYZVFBXFGC-HNCPQSOCSA-N
XLogP3.02
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.74
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-[(1S)-1-(2,3,5,6-tetrafluorophenyl)butyl]piperazine
CID 171167033
1-[(1R)-1-(2,3,6-trifluorophenyl)propyl]piperazine;dihydrochloride
CID 171290288
1-[(1S)-3-methyl-1-(2,3,5,6-tetrafluorophenyl)butyl]piperazine;hydrochloride
CID 171167050
1-[(1R)-1-(2,4,6-trifluorophenyl)propyl]piperazine;hydrochloride
CID 171169950
1-[(1R)-1-(3,4,5-trifluorophenyl)propyl]piperazine;dihydrochloride
CID 171290631
1-[(1R)-3,3,3-trifluoro-1-(2,3,5,6-tetrafluorophenyl)propyl]piperazine;hydrochloride
CID 171172311
1-[(1R)-1-(2,4,5-trifluorophenyl)propyl]piperazine;dihydrochloride
CID 171292983
1-[(1S)-1-(3,6-dichloro-2-fluorophenyl)propyl]piperazine;hydrochloride
CID 171167530
1-[(1S)-1-(3,6-dichloro-2-fluorophenyl)propyl]piperazine
CID 171167529
3,6-difluoro-2-[(1R)-1-piperazin-1-ylpropyl]phenol
CID 171300076
1-[(1S)-1-(3,4,5-trifluorophenyl)butyl]piperazine;hydrochloride
CID 171164975
1-[(1S)-1-(3,4-difluorophenyl)propyl]piperazine;dihydrochloride
CID 171280439

Frequently Asked Questions

What is the IUPAC name of 1-[(1R)-1-(2,3,5,6-tetrafluorophenyl)propyl]piperazine;hydrochloride?
The IUPAC name of 1-[(1R)-1-(2,3,5,6-tetrafluorophenyl)propyl]piperazine;hydrochloride (CID 171172241) is 1-[(1R)-1-(2,3,5,6-tetrafluorophenyl)propyl]piperazine;hydrochloride.
What is the SMILES notation for 1-[(1R)-1-(2,3,5,6-tetrafluorophenyl)propyl]piperazine;hydrochloride?
The canonical SMILES for 1-[(1R)-1-(2,3,5,6-tetrafluorophenyl)propyl]piperazine;hydrochloride is CC[C@H](c1c(F)c(F)cc(F)c1F)N1CCNCC1.Cl.
What is the InChIKey of 1-[(1R)-1-(2,3,5,6-tetrafluorophenyl)propyl]piperazine;hydrochloride?
The InChIKey is QTTYWYZVFBXFGC-HNCPQSOCSA-N. The full InChI is InChI=1S/C13H16F4N2.ClH/c1-2-10(19-5-3-18-4-6-19)11-12(16)8(14)7-9(15)13(11)17;/h7,10,18H,2-6H2,1H3;1H/t10-;/m1./s1.
What are the key properties of 1-[(1R)-1-(2,3,5,6-tetrafluorophenyl)propyl]piperazine;hydrochloride?
1-[(1R)-1-(2,3,5,6-tetrafluorophenyl)propyl]piperazine;hydrochloride has a molecular weight of 312.74 g/mol, XLogP of 3.02, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1R)-1-(2,3,5,6-tetrafluorophenyl)propyl]piperazine;hydrochloride is sourced from PubChem (CID 171172241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).