1-[(1S)-1-(4-bromophenyl)pent-4-enyl]piperazine

C15H21BrN2 — CID 171273720

IUPAC1-[(1S)-1-(4-bromophenyl)pent-4-enyl]piperazine
SMILESC=CCC[C@@H](c1ccc(Br)cc1)N1CCNCC1
InChIInChI=1S/C15H21BrN2/c1-2-3-4-15(18-11-9-17-10-12-18)13-5-7-14(16)8-6-13/h2,5-8,15,17H,1,3-4,9-12H2/t15-/m0/s1
InChIKeyUKXYEDNWFVWUSR-HNNXBMFYSA-N
MW309.25 g/mol
LogP3.36
Rot. Bonds5

About 1-[(1S)-1-(4-bromophenyl)pent-4-enyl]piperazine

1-[(1S)-1-(4-bromophenyl)pent-4-enyl]piperazine (PubChem CID 171273720) has the molecular formula C15H21BrN2 and a molecular weight of 309.25 g/mol. Its IUPAC name is 1-[(1S)-1-(4-bromophenyl)pent-4-enyl]piperazine.

Molecular Properties

Compound Name1-[(1S)-1-(4-bromophenyl)pent-4-enyl]piperazine
PubChem CID171273720
Molecular FormulaC15H21BrN2
Molecular Weight309.25 g/mol
Exact Mass308.09
IUPAC Name1-[(1S)-1-(4-bromophenyl)pent-4-enyl]piperazine
SMILESC=CCC[C@@H](c1ccc(Br)cc1)N1CCNCC1
InChIInChI=1S/C15H21BrN2/c1-2-3-4-15(18-11-9-17-10-12-18)13-5-7-14(16)8-6-13/h2,5-8,15,17H,1,3-4,9-12H2/t15-/m0/s1
InChIKeyUKXYEDNWFVWUSR-HNNXBMFYSA-N
XLogP3.36
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.25
LogP ≤ 53.36
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-[(1R)-1-(4-bromo-3-fluorophenyl)pent-4-enyl]piperazine;dihydrochloride
CID 171287878
1-[(1R)-1-(2,5-dibromophenyl)pent-4-enyl]piperazine;dihydrochloride
CID 171296249
1-[(1R)-1-[4-(trifluoromethoxy)phenyl]pent-4-enyl]piperazine
CID 171291836
trimethyl-[4-[(1R)-1-piperazin-1-ylpent-4-enyl]phenoxy]silane
CID 171291672
1-[(1S)-1-[4-(trifluoromethoxy)phenyl]pent-4-enyl]piperazine
CID 171279214
4-[(1S)-1-piperazin-1-ylpent-4-enyl]benzene-1,2-diol;dihydrochloride
CID 171272501
4-bromo-2-[(1S)-1-piperazin-1-ylpent-4-enyl]phenol;dihydrochloride
CID 171272892
1-[(1R)-1-(4-fluorophenyl)hept-6-enyl]piperazine
CID 171168284
1-[(1R)-1-(4-bromothiophen-2-yl)pent-4-enyl]piperazine
CID 171285422
2-(4-bromophenyl)-2-piperazin-1-ylethanamine
CID 82094058
[4-[(1S)-1-piperazin-1-ylpent-4-enyl]phenyl] acetate;dihydrochloride
CID 171280300
1-[(1S)-1-(3-bromothiophen-2-yl)pent-4-enyl]piperazine;dihydrochloride
CID 171281061

Frequently Asked Questions

What is the IUPAC name of 1-[(1S)-1-(4-bromophenyl)pent-4-enyl]piperazine?
The IUPAC name of 1-[(1S)-1-(4-bromophenyl)pent-4-enyl]piperazine (CID 171273720) is 1-[(1S)-1-(4-bromophenyl)pent-4-enyl]piperazine.
What is the SMILES notation for 1-[(1S)-1-(4-bromophenyl)pent-4-enyl]piperazine?
The canonical SMILES for 1-[(1S)-1-(4-bromophenyl)pent-4-enyl]piperazine is C=CCC[C@@H](c1ccc(Br)cc1)N1CCNCC1.
What is the InChIKey of 1-[(1S)-1-(4-bromophenyl)pent-4-enyl]piperazine?
The InChIKey is UKXYEDNWFVWUSR-HNNXBMFYSA-N. The full InChI is InChI=1S/C15H21BrN2/c1-2-3-4-15(18-11-9-17-10-12-18)13-5-7-14(16)8-6-13/h2,5-8,15,17H,1,3-4,9-12H2/t15-/m0/s1.
What are the key properties of 1-[(1S)-1-(4-bromophenyl)pent-4-enyl]piperazine?
1-[(1S)-1-(4-bromophenyl)pent-4-enyl]piperazine has a molecular weight of 309.25 g/mol, XLogP of 3.36, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1S)-1-(4-bromophenyl)pent-4-enyl]piperazine is sourced from PubChem (CID 171273720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).