1-[(2-bromocyclopenten-1-yl)methyl]piperazine

C10H17BrN2 — CID 91483649

IUPAC1-[(2-bromocyclopenten-1-yl)methyl]piperazine
SMILESBrC1=C(CN2CCNCC2)CCC1
InChIInChI=1S/C10H17BrN2/c11-10-3-1-2-9(10)8-13-6-4-12-5-7-13/h12H,1-8H2
InChIKeyUZPWJFFTZVWBLI-UHFFFAOYSA-N
MW245.16 g/mol
LogP1.72
Rot. Bonds2

About 1-[(2-bromocyclopenten-1-yl)methyl]piperazine

1-[(2-bromocyclopenten-1-yl)methyl]piperazine (PubChem CID 91483649) has the molecular formula C10H17BrN2 and a molecular weight of 245.16 g/mol. Its IUPAC name is 1-[(2-bromocyclopenten-1-yl)methyl]piperazine.

Molecular Properties

Compound Name1-[(2-bromocyclopenten-1-yl)methyl]piperazine
PubChem CID91483649
Molecular FormulaC10H17BrN2
Molecular Weight245.16 g/mol
Exact Mass244.06
IUPAC Name1-[(2-bromocyclopenten-1-yl)methyl]piperazine
SMILESBrC1=C(CN2CCNCC2)CCC1
InChIInChI=1S/C10H17BrN2/c11-10-3-1-2-9(10)8-13-6-4-12-5-7-13/h12H,1-8H2
InChIKeyUZPWJFFTZVWBLI-UHFFFAOYSA-N
XLogP1.72
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.16
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[(2-bromocyclopenten-1-yl)methyl]piperazine?
The IUPAC name of 1-[(2-bromocyclopenten-1-yl)methyl]piperazine (CID 91483649) is 1-[(2-bromocyclopenten-1-yl)methyl]piperazine.
What is the SMILES notation for 1-[(2-bromocyclopenten-1-yl)methyl]piperazine?
The canonical SMILES for 1-[(2-bromocyclopenten-1-yl)methyl]piperazine is BrC1=C(CN2CCNCC2)CCC1.
What is the InChIKey of 1-[(2-bromocyclopenten-1-yl)methyl]piperazine?
The InChIKey is UZPWJFFTZVWBLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17BrN2/c11-10-3-1-2-9(10)8-13-6-4-12-5-7-13/h12H,1-8H2.
What are the key properties of 1-[(2-bromocyclopenten-1-yl)methyl]piperazine?
1-[(2-bromocyclopenten-1-yl)methyl]piperazine has a molecular weight of 245.16 g/mol, XLogP of 1.72, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-bromocyclopenten-1-yl)methyl]piperazine is sourced from PubChem (CID 91483649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).