1-[(1R)-1-(2,3-dichloro-6-fluorophenyl)pent-4-enyl]piperazine

C15H19Cl2FN2 — CID 171296385

IUPAC1-[(1R)-1-(2,3-dichloro-6-fluorophenyl)pent-4-enyl]piperazine
SMILESC=CCC[C@H](c1c(F)ccc(Cl)c1Cl)N1CCNCC1
InChIInChI=1S/C15H19Cl2FN2/c1-2-3-4-13(20-9-7-19-8-10-20)14-12(18)6-5-11(16)15(14)17/h2,5-6,13,19H,1,3-4,7-10H2/t13-/m1/s1
InChIKeyQKRGEGDYBSPWDK-CYBMUJFWSA-N
MW317.24 g/mol
LogP4.05
Rot. Bonds5

About 1-[(1R)-1-(2,3-dichloro-6-fluorophenyl)pent-4-enyl]piperazine

1-[(1R)-1-(2,3-dichloro-6-fluorophenyl)pent-4-enyl]piperazine (PubChem CID 171296385) has the molecular formula C15H19Cl2FN2 and a molecular weight of 317.24 g/mol. Its IUPAC name is 1-[(1R)-1-(2,3-dichloro-6-fluorophenyl)pent-4-enyl]piperazine.

Molecular Properties

Compound Name1-[(1R)-1-(2,3-dichloro-6-fluorophenyl)pent-4-enyl]piperazine
PubChem CID171296385
Molecular FormulaC15H19Cl2FN2
Molecular Weight317.24 g/mol
Exact Mass316.09
IUPAC Name1-[(1R)-1-(2,3-dichloro-6-fluorophenyl)pent-4-enyl]piperazine
SMILESC=CCC[C@H](c1c(F)ccc(Cl)c1Cl)N1CCNCC1
InChIInChI=1S/C15H19Cl2FN2/c1-2-3-4-13(20-9-7-19-8-10-20)14-12(18)6-5-11(16)15(14)17/h2,5-6,13,19H,1,3-4,7-10H2/t13-/m1/s1
InChIKeyQKRGEGDYBSPWDK-CYBMUJFWSA-N
XLogP4.05
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.24
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-[(1S)-1-(2,3,6-trichlorophenyl)pent-4-enyl]piperazine
CID 171282007
6-chloro-3-fluoro-2-[(1R)-1-piperazin-1-ylpent-4-enyl]phenol
CID 171302070
1-[(1S)-1-(2,3-dichloro-6-fluorophenyl)butyl]piperazine;hydrochloride
CID 171167598
1-[(1R)-1-(2,6-difluoro-3-methylphenyl)pent-4-enyl]piperazine
CID 171293030
1-[(1R)-1-(2,6-dichlorophenyl)pent-4-enyl]piperazine
CID 171284992
1-[(1R)-1-(2-chloro-6-fluoro-3-methylphenyl)hept-6-enyl]piperazine;hydrochloride
CID 171171872
1-[(1S)-1-(5-chloro-2-fluorophenyl)pent-4-enyl]piperazine
CID 171275471
1-[(1R)-2-cyclopropyl-1-(2,3-dichloro-6-fluorophenyl)ethyl]piperazine
CID 171173184
1-[(1S)-1-(2-chloro-6-fluorophenyl)hept-6-enyl]piperazine;hydrochloride
CID 171163168
1-[(1R)-1-(2,3-dichloro-6-fluorophenyl)prop-2-enyl]piperazine;dihydrochloride
CID 171296365
1-[(1S)-1-(2-chloro-6-fluoro-3-methylphenyl)but-3-enyl]piperazine;hydrochloride
CID 171166503
(3R)-3-(2-chloro-3,6-difluorophenyl)-3-piperazin-1-ylpropan-1-ol
CID 171173922

Frequently Asked Questions

What is the IUPAC name of 1-[(1R)-1-(2,3-dichloro-6-fluorophenyl)pent-4-enyl]piperazine?
The IUPAC name of 1-[(1R)-1-(2,3-dichloro-6-fluorophenyl)pent-4-enyl]piperazine (CID 171296385) is 1-[(1R)-1-(2,3-dichloro-6-fluorophenyl)pent-4-enyl]piperazine.
What is the SMILES notation for 1-[(1R)-1-(2,3-dichloro-6-fluorophenyl)pent-4-enyl]piperazine?
The canonical SMILES for 1-[(1R)-1-(2,3-dichloro-6-fluorophenyl)pent-4-enyl]piperazine is C=CCC[C@H](c1c(F)ccc(Cl)c1Cl)N1CCNCC1.
What is the InChIKey of 1-[(1R)-1-(2,3-dichloro-6-fluorophenyl)pent-4-enyl]piperazine?
The InChIKey is QKRGEGDYBSPWDK-CYBMUJFWSA-N. The full InChI is InChI=1S/C15H19Cl2FN2/c1-2-3-4-13(20-9-7-19-8-10-20)14-12(18)6-5-11(16)15(14)17/h2,5-6,13,19H,1,3-4,7-10H2/t13-/m1/s1.
What are the key properties of 1-[(1R)-1-(2,3-dichloro-6-fluorophenyl)pent-4-enyl]piperazine?
1-[(1R)-1-(2,3-dichloro-6-fluorophenyl)pent-4-enyl]piperazine has a molecular weight of 317.24 g/mol, XLogP of 4.05, 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-dichloro-6-fluorophenyl)pent-4-enyl]piperazine is sourced from PubChem (CID 171296385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).