1-[(5-bromo-2-pyridinyl)methyl]-2,2-diethylpiperazine

C14H22BrN3 — CID 104812324

IUPAC1-[(5-bromo-2-pyridinyl)methyl]-2,2-diethylpiperazine
SMILESCCC1(CC)CNCCN1Cc1ccc(Br)cn1
InChIInChI=1S/C14H22BrN3/c1-3-14(4-2)11-16-7-8-18(14)10-13-6-5-12(15)9-17-13/h5-6,9,16H,3-4,7-8,10-11H2,1-2H3
InChIKeyHGIWYMUUANMUBO-UHFFFAOYSA-N
MW312.25 g/mol
LogP2.81
Rot. Bonds4

About 1-[(5-bromo-2-pyridinyl)methyl]-2,2-diethylpiperazine

1-[(5-bromo-2-pyridinyl)methyl]-2,2-diethylpiperazine (PubChem CID 104812324) has the molecular formula C14H22BrN3 and a molecular weight of 312.25 g/mol. Its IUPAC name is 1-[(5-bromo-2-pyridinyl)methyl]-2,2-diethylpiperazine.

Molecular Properties

Compound Name1-[(5-bromo-2-pyridinyl)methyl]-2,2-diethylpiperazine
PubChem CID104812324
Molecular FormulaC14H22BrN3
Molecular Weight312.25 g/mol
Exact Mass311.10
IUPAC Name1-[(5-bromo-2-pyridinyl)methyl]-2,2-diethylpiperazine
SMILESCCC1(CC)CNCCN1Cc1ccc(Br)cn1
InChIInChI=1S/C14H22BrN3/c1-3-14(4-2)11-16-7-8-18(14)10-13-6-5-12(15)9-17-13/h5-6,9,16H,3-4,7-8,10-11H2,1-2H3
InChIKeyHGIWYMUUANMUBO-UHFFFAOYSA-N
XLogP2.81
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.25
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(5-bromo-2-pyridinyl)methyl]-2,2,5-triethylpiperazine
CID 104812451
1-[(5-bromo-2-pyridinyl)methyl]-2,2-diethyl-5-propan-2-ylpiperazine
CID 104812404
2,2-diethyl-1-[(6-methyl-2-pyridinyl)methyl]piperazine
CID 79261513
1-[(5-bromo-2-pyridinyl)methyl]-1,4-diazepane
CID 115741251
1-[(5-bromo-2-pyridinyl)methyl]-5-ethyl-2,2-dimethylpiperazine
CID 113456015
1-[(5-bromo-2-pyridinyl)methyl]-5-butan-2-yl-2-ethyl-2-methylpiperazine
CID 104812499
2-(azetidin-1-ylmethyl)-5-bromopyridine
CID 105484340
1-[(5-bromo-2-pyridinyl)methyl]-4-methylpiperazine
CID 23438151
2,2-diethyl-1-(2-phenoxyethyl)piperazine
CID 64846196
5-bromo-2-[(3-fluoropiperidin-3-yl)methyl]pyridine
CID 104814136
2-(5-bromo-2-pyridinyl)-1-(3-ethylpiperidin-3-yl)ethanone
CID 116568711
1-[(5-bromo-2-pyridinyl)methyl]-2,3,4,5-tetrahydro-1,4-benzodiazepine
CID 115741374

Frequently Asked Questions

What is the IUPAC name of 1-[(5-bromo-2-pyridinyl)methyl]-2,2-diethylpiperazine?
The IUPAC name of 1-[(5-bromo-2-pyridinyl)methyl]-2,2-diethylpiperazine (CID 104812324) is 1-[(5-bromo-2-pyridinyl)methyl]-2,2-diethylpiperazine.
What is the SMILES notation for 1-[(5-bromo-2-pyridinyl)methyl]-2,2-diethylpiperazine?
The canonical SMILES for 1-[(5-bromo-2-pyridinyl)methyl]-2,2-diethylpiperazine is CCC1(CC)CNCCN1Cc1ccc(Br)cn1.
What is the InChIKey of 1-[(5-bromo-2-pyridinyl)methyl]-2,2-diethylpiperazine?
The InChIKey is HGIWYMUUANMUBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22BrN3/c1-3-14(4-2)11-16-7-8-18(14)10-13-6-5-12(15)9-17-13/h5-6,9,16H,3-4,7-8,10-11H2,1-2H3.
What are the key properties of 1-[(5-bromo-2-pyridinyl)methyl]-2,2-diethylpiperazine?
1-[(5-bromo-2-pyridinyl)methyl]-2,2-diethylpiperazine has a molecular weight of 312.25 g/mol, XLogP of 2.81, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-bromo-2-pyridinyl)methyl]-2,2-diethylpiperazine is sourced from PubChem (CID 104812324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).