1-[(1R)-1-(2,3-dichloro-6-fluorophenyl)prop-2-enyl]piperazine;dihydrochloride

C13H17Cl4FN2 — CID 171296365

IUPAC1-[(1R)-1-(2,3-dichloro-6-fluorophenyl)prop-2-enyl]piperazine;dihydrochloride
SMILESC=C[C@H](c1c(F)ccc(Cl)c1Cl)N1CCNCC1.Cl.Cl
InChIInChI=1S/C13H15Cl2FN2.2ClH/c1-2-11(18-7-5-17-6-8-18)12-10(16)4-3-9(14)13(12)15;;/h2-4,11,17H,1,5-8H2;2*1H/t11-;;/m1../s1
InChIKeyJUGKWDGLWUWYLO-NVJADKKVSA-N
MW362.10 g/mol
LogP4.11
Rot. Bonds3

About 1-[(1R)-1-(2,3-dichloro-6-fluorophenyl)prop-2-enyl]piperazine;dihydrochloride

1-[(1R)-1-(2,3-dichloro-6-fluorophenyl)prop-2-enyl]piperazine;dihydrochloride (PubChem CID 171296365) has the molecular formula C13H17Cl4FN2 and a molecular weight of 362.10 g/mol. Its IUPAC name is 1-[(1R)-1-(2,3-dichloro-6-fluorophenyl)prop-2-enyl]piperazine;dihydrochloride.

Molecular Properties

Compound Name1-[(1R)-1-(2,3-dichloro-6-fluorophenyl)prop-2-enyl]piperazine;dihydrochloride
PubChem CID171296365
Molecular FormulaC13H17Cl4FN2
Molecular Weight362.10 g/mol
Exact Mass360.01
IUPAC Name1-[(1R)-1-(2,3-dichloro-6-fluorophenyl)prop-2-enyl]piperazine;dihydrochloride
SMILESC=C[C@H](c1c(F)ccc(Cl)c1Cl)N1CCNCC1.Cl.Cl
InChIInChI=1S/C13H15Cl2FN2.2ClH/c1-2-11(18-7-5-17-6-8-18)12-10(16)4-3-9(14)13(12)15;;/h2-4,11,17H,1,5-8H2;2*1H/t11-;;/m1../s1
InChIKeyJUGKWDGLWUWYLO-NVJADKKVSA-N
XLogP4.11
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.10
LogP ≤ 54.11
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-[(1R)-1-(2-chloro-3,6-difluorophenyl)prop-2-enyl]piperazine
CID 171171552
1-[(1R)-1-(2,3,6-trifluorophenyl)prop-2-enyl]piperazine;hydrochloride
CID 171169964
1-[(1R)-1-(4-chloro-2,6-difluorophenyl)prop-2-enyl]piperazine
CID 171172260
1-[(1S)-1-(6-chloro-2-fluoro-3-methylphenyl)prop-2-enyl]piperazine;hydrochloride
CID 171166092
1-[(1S)-1-(2,6-difluoro-3-methylphenyl)prop-2-enyl]piperazine;hydrochloride
CID 171166634
1-[(1R)-1-(2,3-dichloro-6-fluorophenyl)pent-4-enyl]piperazine
CID 171296385
1-[(1S)-1-(2,3-dichloro-6-fluorophenyl)-2,2,2-trifluoroethyl]piperazine;dihydrochloride
CID 171296366
1-[(1S)-1-(3-chloro-4-fluorophenyl)prop-2-enyl]piperazine
CID 171163445
1-[(1S)-1-(4-chloro-3-fluorophenyl)prop-2-enyl]piperazine
CID 171166426
2-chloro-3-fluoro-6-[(1S)-1-piperazin-1-ylprop-2-enyl]phenol;dihydrochloride
CID 171297800
1-[(1R)-1-(2-chloro-5-fluorophenyl)prop-2-enyl]piperazine
CID 171169915
1-[(S)-cyclopentyl-(2,3-dichloro-6-fluorophenyl)methyl]piperazine;hydrochloride
CID 171167632

Frequently Asked Questions

What is the IUPAC name of 1-[(1R)-1-(2,3-dichloro-6-fluorophenyl)prop-2-enyl]piperazine;dihydrochloride?
The IUPAC name of 1-[(1R)-1-(2,3-dichloro-6-fluorophenyl)prop-2-enyl]piperazine;dihydrochloride (CID 171296365) is 1-[(1R)-1-(2,3-dichloro-6-fluorophenyl)prop-2-enyl]piperazine;dihydrochloride.
What is the SMILES notation for 1-[(1R)-1-(2,3-dichloro-6-fluorophenyl)prop-2-enyl]piperazine;dihydrochloride?
The canonical SMILES for 1-[(1R)-1-(2,3-dichloro-6-fluorophenyl)prop-2-enyl]piperazine;dihydrochloride is C=C[C@H](c1c(F)ccc(Cl)c1Cl)N1CCNCC1.Cl.Cl.
What is the InChIKey of 1-[(1R)-1-(2,3-dichloro-6-fluorophenyl)prop-2-enyl]piperazine;dihydrochloride?
The InChIKey is JUGKWDGLWUWYLO-NVJADKKVSA-N. The full InChI is InChI=1S/C13H15Cl2FN2.2ClH/c1-2-11(18-7-5-17-6-8-18)12-10(16)4-3-9(14)13(12)15;;/h2-4,11,17H,1,5-8H2;2*1H/t11-;;/m1../s1.
What are the key properties of 1-[(1R)-1-(2,3-dichloro-6-fluorophenyl)prop-2-enyl]piperazine;dihydrochloride?
1-[(1R)-1-(2,3-dichloro-6-fluorophenyl)prop-2-enyl]piperazine;dihydrochloride has a molecular weight of 362.10 g/mol, XLogP of 4.11, 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-dichloro-6-fluorophenyl)prop-2-enyl]piperazine;dihydrochloride is sourced from PubChem (CID 171296365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).