1-[(1R)-1-(4-bromo-3-fluorophenyl)pent-4-enyl]piperazine;dihydrochloride

C15H22BrCl2FN2 — CID 171287878

IUPAC1-[(1R)-1-(4-bromo-3-fluorophenyl)pent-4-enyl]piperazine;dihydrochloride
SMILESC=CCC[C@H](c1ccc(Br)c(F)c1)N1CCNCC1.Cl.Cl
InChIInChI=1S/C15H20BrFN2.2ClH/c1-2-3-4-15(19-9-7-18-8-10-19)12-5-6-13(16)14(17)11-12;;/h2,5-6,11,15,18H,1,3-4,7-10H2;2*1H/t15-;;/m1../s1
InChIKeyKRGVVNMCDQWWQZ-QCUBGVIVSA-N
MW400.16 g/mol
LogP4.34
Rot. Bonds5

About 1-[(1R)-1-(4-bromo-3-fluorophenyl)pent-4-enyl]piperazine;dihydrochloride

1-[(1R)-1-(4-bromo-3-fluorophenyl)pent-4-enyl]piperazine;dihydrochloride (PubChem CID 171287878) has the molecular formula C15H22BrCl2FN2 and a molecular weight of 400.16 g/mol. Its IUPAC name is 1-[(1R)-1-(4-bromo-3-fluorophenyl)pent-4-enyl]piperazine;dihydrochloride.

Molecular Properties

Compound Name1-[(1R)-1-(4-bromo-3-fluorophenyl)pent-4-enyl]piperazine;dihydrochloride
PubChem CID171287878
Molecular FormulaC15H22BrCl2FN2
Molecular Weight400.16 g/mol
Exact Mass398.03
IUPAC Name1-[(1R)-1-(4-bromo-3-fluorophenyl)pent-4-enyl]piperazine;dihydrochloride
SMILESC=CCC[C@H](c1ccc(Br)c(F)c1)N1CCNCC1.Cl.Cl
InChIInChI=1S/C15H20BrFN2.2ClH/c1-2-3-4-15(19-9-7-18-8-10-19)12-5-6-13(16)14(17)11-12;;/h2,5-6,11,15,18H,1,3-4,7-10H2;2*1H/t15-;;/m1../s1
InChIKeyKRGVVNMCDQWWQZ-QCUBGVIVSA-N
XLogP4.34
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.16
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-[(1S)-1-(4-bromo-3-fluorophenyl)-3-fluoropropyl]piperazine;hydrochloride
CID 171163574
1-[(1R)-1-(4-bromo-3-fluorophenyl)butyl]piperazine
CID 171168943
1-[(1S)-1-(4-bromo-3-fluorophenyl)pentyl]piperazine;dihydrochloride
CID 171308863
1-[(1R)-1-(4-bromo-3-fluorophenyl)pentyl]piperazine;dihydrochloride
CID 171307566
1-[(1S)-1-(4-bromo-3-fluorophenyl)propyl]piperazine;dihydrochloride
CID 171275228
1-[(1S)-1-(4-bromophenyl)pent-4-enyl]piperazine
CID 171273720
1-[(1R)-1-(4-bromo-3-fluorophenyl)-2-cyclopropylethyl]piperazine;hydrochloride
CID 171168952
1-[(1R)-1-(4-bromo-3-fluorophenyl)propyl]piperazine
CID 171168921
4-[(1S)-1-piperazin-1-ylpent-4-enyl]benzene-1,2-diol;dihydrochloride
CID 171272501
2-fluoro-4-[(1R)-1-piperazin-1-ylhept-6-enyl]phenol;hydrochloride
CID 171168203
1-[(1R)-1-(2,5-dibromophenyl)pent-4-enyl]piperazine;dihydrochloride
CID 171296249
1-[(1S)-1-(4-bromo-3-fluorophenyl)prop-2-enyl]piperazine
CID 171163518

Frequently Asked Questions

What is the IUPAC name of 1-[(1R)-1-(4-bromo-3-fluorophenyl)pent-4-enyl]piperazine;dihydrochloride?
The IUPAC name of 1-[(1R)-1-(4-bromo-3-fluorophenyl)pent-4-enyl]piperazine;dihydrochloride (CID 171287878) is 1-[(1R)-1-(4-bromo-3-fluorophenyl)pent-4-enyl]piperazine;dihydrochloride.
What is the SMILES notation for 1-[(1R)-1-(4-bromo-3-fluorophenyl)pent-4-enyl]piperazine;dihydrochloride?
The canonical SMILES for 1-[(1R)-1-(4-bromo-3-fluorophenyl)pent-4-enyl]piperazine;dihydrochloride is C=CCC[C@H](c1ccc(Br)c(F)c1)N1CCNCC1.Cl.Cl.
What is the InChIKey of 1-[(1R)-1-(4-bromo-3-fluorophenyl)pent-4-enyl]piperazine;dihydrochloride?
The InChIKey is KRGVVNMCDQWWQZ-QCUBGVIVSA-N. The full InChI is InChI=1S/C15H20BrFN2.2ClH/c1-2-3-4-15(19-9-7-18-8-10-19)12-5-6-13(16)14(17)11-12;;/h2,5-6,11,15,18H,1,3-4,7-10H2;2*1H/t15-;;/m1../s1.
What are the key properties of 1-[(1R)-1-(4-bromo-3-fluorophenyl)pent-4-enyl]piperazine;dihydrochloride?
1-[(1R)-1-(4-bromo-3-fluorophenyl)pent-4-enyl]piperazine;dihydrochloride has a molecular weight of 400.16 g/mol, XLogP of 4.34, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1R)-1-(4-bromo-3-fluorophenyl)pent-4-enyl]piperazine;dihydrochloride is sourced from PubChem (CID 171287878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).