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

C14H22BrN3 — CID 113456015

IUPAC1-[(5-bromo-2-pyridinyl)methyl]-5-ethyl-2,2-dimethylpiperazine
SMILESCCC1CN(Cc2ccc(Br)cn2)C(C)(C)CN1
InChIInChI=1S/C14H22BrN3/c1-4-12-8-18(14(2,3)10-17-12)9-13-6-5-11(15)7-16-13/h5-7,12,17H,4,8-10H2,1-3H3
InChIKeyVNKLUAIKHOAXNS-UHFFFAOYSA-N
MW312.25 g/mol
LogP2.81
Rot. Bonds3

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

1-[(5-bromo-2-pyridinyl)methyl]-5-ethyl-2,2-dimethylpiperazine (PubChem CID 113456015) has the molecular formula C14H22BrN3 and a molecular weight of 312.25 g/mol. Its IUPAC name is 1-[(5-bromo-2-pyridinyl)methyl]-5-ethyl-2,2-dimethylpiperazine.

Molecular Properties

Compound Name1-[(5-bromo-2-pyridinyl)methyl]-5-ethyl-2,2-dimethylpiperazine
PubChem CID113456015
Molecular FormulaC14H22BrN3
Molecular Weight312.25 g/mol
Exact Mass311.10
IUPAC Name1-[(5-bromo-2-pyridinyl)methyl]-5-ethyl-2,2-dimethylpiperazine
SMILESCCC1CN(Cc2ccc(Br)cn2)C(C)(C)CN1
InChIInChI=1S/C14H22BrN3/c1-4-12-8-18(14(2,3)10-17-12)9-13-6-5-11(15)7-16-13/h5-7,12,17H,4,8-10H2,1-3H3
InChIKeyVNKLUAIKHOAXNS-UHFFFAOYSA-N
XLogP2.81
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
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-3-pyridinyl)methyl]-5-ethyl-2,2-dimethylpiperazine
CID 104812447
5-ethyl-2,2-dimethyl-1-[(6-methyl-2-pyridinyl)methyl]piperazine
CID 79260558
1-[(5-bromo-2-pyridinyl)methyl]-2,2-diethyl-5-propan-2-ylpiperazine
CID 104812404
1-[(5-bromo-2-pyridinyl)methyl]-5-butan-2-yl-2-ethyl-2-methylpiperazine
CID 104812499
1-[(4-bromophenyl)methyl]-2,2-dimethyl-5-propylpiperazine
CID 64840164
5-[(5-ethyl-2,2-dimethylpiperazin-1-yl)methyl]-1,3-thiazole
CID 112644884
5-ethyl-2,2-dimethyl-1-[(2-methylphenyl)methyl]piperazine
CID 64843913
1-[(5-bromo-2-pyridinyl)methyl]-2,2-diethylpiperazine
CID 104812324
1-[(5-bromo-2-pyridinyl)methyl]-5-cyclopropyl-2-ethyl-5-methylpiperazine
CID 104812551
1-[(5-chlorothiophen-2-yl)methyl]-5-ethyl-2,2-dimethylpiperazine
CID 64841778
1-[(4-bromophenyl)methyl]-2,2,5-trimethylpiperazine
CID 64844916

Frequently Asked Questions

What is the IUPAC name of 1-[(5-bromo-2-pyridinyl)methyl]-5-ethyl-2,2-dimethylpiperazine?
The IUPAC name of 1-[(5-bromo-2-pyridinyl)methyl]-5-ethyl-2,2-dimethylpiperazine (CID 113456015) is 1-[(5-bromo-2-pyridinyl)methyl]-5-ethyl-2,2-dimethylpiperazine.
What is the SMILES notation for 1-[(5-bromo-2-pyridinyl)methyl]-5-ethyl-2,2-dimethylpiperazine?
The canonical SMILES for 1-[(5-bromo-2-pyridinyl)methyl]-5-ethyl-2,2-dimethylpiperazine is CCC1CN(Cc2ccc(Br)cn2)C(C)(C)CN1.
What is the InChIKey of 1-[(5-bromo-2-pyridinyl)methyl]-5-ethyl-2,2-dimethylpiperazine?
The InChIKey is VNKLUAIKHOAXNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22BrN3/c1-4-12-8-18(14(2,3)10-17-12)9-13-6-5-11(15)7-16-13/h5-7,12,17H,4,8-10H2,1-3H3.
What are the key properties of 1-[(5-bromo-2-pyridinyl)methyl]-5-ethyl-2,2-dimethylpiperazine?
1-[(5-bromo-2-pyridinyl)methyl]-5-ethyl-2,2-dimethylpiperazine has a molecular weight of 312.25 g/mol, XLogP of 2.81, 3 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]-5-ethyl-2,2-dimethylpiperazine is sourced from PubChem (CID 113456015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).