1-[(1R)-1-(4-bromothiophen-2-yl)propyl]piperazine

C11H17BrN2S — CID 95490471

IUPAC1-[(1R)-1-(4-bromothiophen-2-yl)propyl]piperazine
SMILESCC[C@H](c1cc(Br)cs1)N1CCNCC1
InChIInChI=1S/C11H17BrN2S/c1-2-10(11-7-9(12)8-15-11)14-5-3-13-4-6-14/h7-8,10,13H,2-6H2,1H3/t10-/m1/s1
InChIKeyVFRQMHSHNROALR-SNVBAGLBSA-N
MW289.24 g/mol
LogP2.87
Rot. Bonds3

About 1-[(1R)-1-(4-bromothiophen-2-yl)propyl]piperazine

1-[(1R)-1-(4-bromothiophen-2-yl)propyl]piperazine (PubChem CID 95490471) has the molecular formula C11H17BrN2S and a molecular weight of 289.24 g/mol. Its IUPAC name is 1-[(1R)-1-(4-bromothiophen-2-yl)propyl]piperazine.

Molecular Properties

Compound Name1-[(1R)-1-(4-bromothiophen-2-yl)propyl]piperazine
PubChem CID95490471
Molecular FormulaC11H17BrN2S
Molecular Weight289.24 g/mol
Exact Mass288.03
IUPAC Name1-[(1R)-1-(4-bromothiophen-2-yl)propyl]piperazine
SMILESCC[C@H](c1cc(Br)cs1)N1CCNCC1
InChIInChI=1S/C11H17BrN2S/c1-2-10(11-7-9(12)8-15-11)14-5-3-13-4-6-14/h7-8,10,13H,2-6H2,1H3/t10-/m1/s1
InChIKeyVFRQMHSHNROALR-SNVBAGLBSA-N
XLogP2.87
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.24
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(1S)-1-(4-bromothiophen-2-yl)-3-methylbutyl]piperazine;dihydrochloride
CID 171272791
1-[(1R)-1-(4-bromothiophen-2-yl)-3,3,3-trifluoropropyl]piperazine
CID 171303292
1-[(1S)-1-(4-bromothiophen-2-yl)-3,3,3-trifluoropropyl]piperazine;dihydrochloride
CID 171302329
1-[(1R)-1-(4-bromothiophen-2-yl)pent-4-enyl]piperazine
CID 171285422
1-[(1S)-1-(3,5-dibromophenyl)propyl]piperazine;dihydrochloride
CID 171282713
1-[(1S)-1-(4-bromothiophen-2-yl)-2,2-dimethylpropyl]piperazine
CID 171272792
1-[(1S)-1-(4-bromothiophen-2-yl)-2,2-difluoroethyl]piperazine
CID 131429782
1-[(1S)-1-thiophen-3-ylpropyl]piperazine
CID 131188138
2-(4-bromothiophen-2-yl)-2-(4-ethylpiperazin-1-yl)ethanamine
CID 43123646
1-[1-(5-chlorothiophen-2-yl)propyl]piperazine
CID 82294535
1-[2-amino-1-(4-bromothiophen-2-yl)ethyl]-1,4-diazepan-5-one
CID 55134307
3,5-dibromo-2-[(1R)-1-piperazin-1-ylpropyl]phenol;dihydrochloride
CID 171299797

Frequently Asked Questions

What is the IUPAC name of 1-[(1R)-1-(4-bromothiophen-2-yl)propyl]piperazine?
The IUPAC name of 1-[(1R)-1-(4-bromothiophen-2-yl)propyl]piperazine (CID 95490471) is 1-[(1R)-1-(4-bromothiophen-2-yl)propyl]piperazine.
What is the SMILES notation for 1-[(1R)-1-(4-bromothiophen-2-yl)propyl]piperazine?
The canonical SMILES for 1-[(1R)-1-(4-bromothiophen-2-yl)propyl]piperazine is CC[C@H](c1cc(Br)cs1)N1CCNCC1.
What is the InChIKey of 1-[(1R)-1-(4-bromothiophen-2-yl)propyl]piperazine?
The InChIKey is VFRQMHSHNROALR-SNVBAGLBSA-N. The full InChI is InChI=1S/C11H17BrN2S/c1-2-10(11-7-9(12)8-15-11)14-5-3-13-4-6-14/h7-8,10,13H,2-6H2,1H3/t10-/m1/s1.
What are the key properties of 1-[(1R)-1-(4-bromothiophen-2-yl)propyl]piperazine?
1-[(1R)-1-(4-bromothiophen-2-yl)propyl]piperazine has a molecular weight of 289.24 g/mol, XLogP of 2.87, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1R)-1-(4-bromothiophen-2-yl)propyl]piperazine is sourced from PubChem (CID 95490471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).