1-[(1R)-1-(2,5-dibromophenyl)pent-4-enyl]piperazine;dihydrochloride

C15H22Br2Cl2N2 — CID 171296249

IUPAC1-[(1R)-1-(2,5-dibromophenyl)pent-4-enyl]piperazine;dihydrochloride
SMILESC=CCC[C@H](c1cc(Br)ccc1Br)N1CCNCC1.Cl.Cl
InChIInChI=1S/C15H20Br2N2.2ClH/c1-2-3-4-15(19-9-7-18-8-10-19)13-11-12(16)5-6-14(13)17;;/h2,5-6,11,15,18H,1,3-4,7-10H2;2*1H/t15-;;/m1../s1
InChIKeyFMBKCMOFLGAQOV-QCUBGVIVSA-N
MW461.07 g/mol
LogP4.97
Rot. Bonds5

About 1-[(1R)-1-(2,5-dibromophenyl)pent-4-enyl]piperazine;dihydrochloride

1-[(1R)-1-(2,5-dibromophenyl)pent-4-enyl]piperazine;dihydrochloride (PubChem CID 171296249) has the molecular formula C15H22Br2Cl2N2 and a molecular weight of 461.07 g/mol. Its IUPAC name is 1-[(1R)-1-(2,5-dibromophenyl)pent-4-enyl]piperazine;dihydrochloride.

Molecular Properties

Compound Name1-[(1R)-1-(2,5-dibromophenyl)pent-4-enyl]piperazine;dihydrochloride
PubChem CID171296249
Molecular FormulaC15H22Br2Cl2N2
Molecular Weight461.07 g/mol
Exact Mass457.95
IUPAC Name1-[(1R)-1-(2,5-dibromophenyl)pent-4-enyl]piperazine;dihydrochloride
SMILESC=CCC[C@H](c1cc(Br)ccc1Br)N1CCNCC1.Cl.Cl
InChIInChI=1S/C15H20Br2N2.2ClH/c1-2-3-4-15(19-9-7-18-8-10-19)13-11-12(16)5-6-14(13)17;;/h2,5-6,11,15,18H,1,3-4,7-10H2;2*1H/t15-;;/m1../s1
InChIKeyFMBKCMOFLGAQOV-QCUBGVIVSA-N
XLogP4.97
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.07
LogP ≤ 54.97
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

4-bromo-2-[(1S)-1-piperazin-1-ylpent-4-enyl]phenol;dihydrochloride
CID 171272892
1-[(1S)-1-[2-bromo-5-(trifluoromethyl)phenyl]pent-4-enyl]piperazine
CID 171278983
1-[(1S)-1-(2-bromo-5-methoxyphenyl)pent-4-enyl]piperazine
CID 171277514
2,4-dibromo-6-[(1R)-1-piperazin-1-ylpent-4-enyl]phenol;dihydrochloride
CID 171284800
1-[(1S)-1-[5-bromo-2-(trifluoromethoxy)phenyl]pent-4-enyl]piperazine;dihydrochloride
CID 171279399
1-[(1S)-1-(4-bromophenyl)pent-4-enyl]piperazine
CID 171273720
1-[(1S)-1-(5-bromo-2-fluorophenyl)hept-6-enyl]piperazine;hydrochloride
CID 171163238
1-[(1R)-1-(2,5-dibromophenyl)pentyl]piperazine
CID 171308409
1-[(1S)-1-(2-bromo-4-fluorophenyl)pent-4-enyl]piperazine
CID 171274875
1-[(1R)-1-(4-bromo-3-fluorophenyl)pent-4-enyl]piperazine;dihydrochloride
CID 171287878
4-bromo-2-methyl-6-[(1R)-1-piperazin-1-ylpent-4-enyl]phenol
CID 171300750
1-[(1S)-1-(5-bromo-2-fluorophenyl)but-3-enyl]piperazine;hydrochloride
CID 171163292

Frequently Asked Questions

What is the IUPAC name of 1-[(1R)-1-(2,5-dibromophenyl)pent-4-enyl]piperazine;dihydrochloride?
The IUPAC name of 1-[(1R)-1-(2,5-dibromophenyl)pent-4-enyl]piperazine;dihydrochloride (CID 171296249) is 1-[(1R)-1-(2,5-dibromophenyl)pent-4-enyl]piperazine;dihydrochloride.
What is the SMILES notation for 1-[(1R)-1-(2,5-dibromophenyl)pent-4-enyl]piperazine;dihydrochloride?
The canonical SMILES for 1-[(1R)-1-(2,5-dibromophenyl)pent-4-enyl]piperazine;dihydrochloride is C=CCC[C@H](c1cc(Br)ccc1Br)N1CCNCC1.Cl.Cl.
What is the InChIKey of 1-[(1R)-1-(2,5-dibromophenyl)pent-4-enyl]piperazine;dihydrochloride?
The InChIKey is FMBKCMOFLGAQOV-QCUBGVIVSA-N. The full InChI is InChI=1S/C15H20Br2N2.2ClH/c1-2-3-4-15(19-9-7-18-8-10-19)13-11-12(16)5-6-14(13)17;;/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-(2,5-dibromophenyl)pent-4-enyl]piperazine;dihydrochloride?
1-[(1R)-1-(2,5-dibromophenyl)pent-4-enyl]piperazine;dihydrochloride has a molecular weight of 461.07 g/mol, XLogP of 4.97, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1R)-1-(2,5-dibromophenyl)pent-4-enyl]piperazine;dihydrochloride is sourced from PubChem (CID 171296249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).