1-[(5-bromo-3-pyridinyl)methyl]-3-ethyl-3-methylpiperazine

C13H20BrN3 — CID 104812297

IUPAC1-[(5-bromo-3-pyridinyl)methyl]-3-ethyl-3-methylpiperazine
SMILESCCC1(C)CN(Cc2cncc(Br)c2)CCN1
InChIInChI=1S/C13H20BrN3/c1-3-13(2)10-17(5-4-16-13)9-11-6-12(14)8-15-7-11/h6-8,16H,3-5,9-10H2,1-2H3
InChIKeyYLOGDZCTLAJPER-UHFFFAOYSA-N
MW298.23 g/mol
LogP2.42
Rot. Bonds3

About 1-[(5-bromo-3-pyridinyl)methyl]-3-ethyl-3-methylpiperazine

1-[(5-bromo-3-pyridinyl)methyl]-3-ethyl-3-methylpiperazine (PubChem CID 104812297) has the molecular formula C13H20BrN3 and a molecular weight of 298.23 g/mol. Its IUPAC name is 1-[(5-bromo-3-pyridinyl)methyl]-3-ethyl-3-methylpiperazine.

Molecular Properties

Compound Name1-[(5-bromo-3-pyridinyl)methyl]-3-ethyl-3-methylpiperazine
PubChem CID104812297
Molecular FormulaC13H20BrN3
Molecular Weight298.23 g/mol
Exact Mass297.08
IUPAC Name1-[(5-bromo-3-pyridinyl)methyl]-3-ethyl-3-methylpiperazine
SMILESCCC1(C)CN(Cc2cncc(Br)c2)CCN1
InChIInChI=1S/C13H20BrN3/c1-3-13(2)10-17(5-4-16-13)9-11-6-12(14)8-15-7-11/h6-8,16H,3-5,9-10H2,1-2H3
InChIKeyYLOGDZCTLAJPER-UHFFFAOYSA-N
XLogP2.42
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.23
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-ethyl-1-[(5-fluoro-3-pyridinyl)methyl]-3-methyl-1,4-diazepane
CID 114084807
4-[(5-bromo-3-pyridinyl)methyl]-2,2-dimethylthiomorpholine
CID 115683590
1-[(5-fluoro-3-pyridinyl)methyl]-3,3-dimethylpiperazine
CID 104956316
1-[(5-bromo-3-pyridinyl)methyl]azocane
CID 115580857
1-[(5-bromo-3-pyridinyl)methyl]-2,2,5,5-tetramethylpiperazine
CID 104812423
1-[(5-bromo-3-pyridinyl)methyl]-2,2-dimethylpiperazine
CID 115741515
5-[(3-ethyl-3-methylpiperazin-1-yl)methyl]-2-methyl-1,3-thiazole
CID 64925151
1-[(2-chloro-4-methylphenyl)methyl]-3-ethyl-3-methylpiperazine
CID 106870298
1-(2-bromoethyl)-4-[(5-bromo-3-pyridinyl)methyl]piperazine
CID 104811250
1-[(5-bromo-3-pyridinyl)methyl]-3-propylpiperidine-3-carboxylic acid
CID 104800382
1-[(5-bromo-3-pyridinyl)methyl]-4-methylpyrrolidin-3-ol
CID 130770082
5-[(3-ethyl-3-methylpiperazin-1-yl)methyl]-4-methyl-1,3-thiazole
CID 64953207

Frequently Asked Questions

What is the IUPAC name of 1-[(5-bromo-3-pyridinyl)methyl]-3-ethyl-3-methylpiperazine?
The IUPAC name of 1-[(5-bromo-3-pyridinyl)methyl]-3-ethyl-3-methylpiperazine (CID 104812297) is 1-[(5-bromo-3-pyridinyl)methyl]-3-ethyl-3-methylpiperazine.
What is the SMILES notation for 1-[(5-bromo-3-pyridinyl)methyl]-3-ethyl-3-methylpiperazine?
The canonical SMILES for 1-[(5-bromo-3-pyridinyl)methyl]-3-ethyl-3-methylpiperazine is CCC1(C)CN(Cc2cncc(Br)c2)CCN1.
What is the InChIKey of 1-[(5-bromo-3-pyridinyl)methyl]-3-ethyl-3-methylpiperazine?
The InChIKey is YLOGDZCTLAJPER-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20BrN3/c1-3-13(2)10-17(5-4-16-13)9-11-6-12(14)8-15-7-11/h6-8,16H,3-5,9-10H2,1-2H3.
What are the key properties of 1-[(5-bromo-3-pyridinyl)methyl]-3-ethyl-3-methylpiperazine?
1-[(5-bromo-3-pyridinyl)methyl]-3-ethyl-3-methylpiperazine has a molecular weight of 298.23 g/mol, XLogP of 2.42, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-bromo-3-pyridinyl)methyl]-3-ethyl-3-methylpiperazine is sourced from PubChem (CID 104812297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).