1-(3-bromo-2-pyridinyl)-2-ethylpiperazine

C11H16BrN3 — CID 63600954

IUPAC1-(3-bromo-2-pyridinyl)-2-ethylpiperazine
SMILESCCC1CNCCN1c1ncccc1Br
InChIInChI=1S/C11H16BrN3/c1-2-9-8-13-6-7-15(9)11-10(12)4-3-5-14-11/h3-5,9,13H,2,6-8H2,1H3
InChIKeyRSSKNVDTLXLSNR-UHFFFAOYSA-N
MW270.17 g/mol
LogP2.03
Rot. Bonds2

About 1-(3-bromo-2-pyridinyl)-2-ethylpiperazine

1-(3-bromo-2-pyridinyl)-2-ethylpiperazine (PubChem CID 63600954) has the molecular formula C11H16BrN3 and a molecular weight of 270.17 g/mol. Its IUPAC name is 1-(3-bromo-2-pyridinyl)-2-ethylpiperazine.

Molecular Properties

Compound Name1-(3-bromo-2-pyridinyl)-2-ethylpiperazine
PubChem CID63600954
Molecular FormulaC11H16BrN3
Molecular Weight270.17 g/mol
Exact Mass269.05
IUPAC Name1-(3-bromo-2-pyridinyl)-2-ethylpiperazine
SMILESCCC1CNCCN1c1ncccc1Br
InChIInChI=1S/C11H16BrN3/c1-2-9-8-13-6-7-15(9)11-10(12)4-3-5-14-11/h3-5,9,13H,2,6-8H2,1H3
InChIKeyRSSKNVDTLXLSNR-UHFFFAOYSA-N
XLogP2.03
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.17
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(3-bromo-2-pyridinyl)-2-ethylpiperazine?
The IUPAC name of 1-(3-bromo-2-pyridinyl)-2-ethylpiperazine (CID 63600954) is 1-(3-bromo-2-pyridinyl)-2-ethylpiperazine.
What is the SMILES notation for 1-(3-bromo-2-pyridinyl)-2-ethylpiperazine?
The canonical SMILES for 1-(3-bromo-2-pyridinyl)-2-ethylpiperazine is CCC1CNCCN1c1ncccc1Br.
What is the InChIKey of 1-(3-bromo-2-pyridinyl)-2-ethylpiperazine?
The InChIKey is RSSKNVDTLXLSNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16BrN3/c1-2-9-8-13-6-7-15(9)11-10(12)4-3-5-14-11/h3-5,9,13H,2,6-8H2,1H3.
What are the key properties of 1-(3-bromo-2-pyridinyl)-2-ethylpiperazine?
1-(3-bromo-2-pyridinyl)-2-ethylpiperazine has a molecular weight of 270.17 g/mol, XLogP of 2.03, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromo-2-pyridinyl)-2-ethylpiperazine is sourced from PubChem (CID 63600954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).