1-[(5-bromo-3-pyridinyl)methyl]-2,2,5,5-tetramethylpiperazine

C14H22BrN3 — CID 104812423

IUPAC1-[(5-bromo-3-pyridinyl)methyl]-2,2,5,5-tetramethylpiperazine
SMILESCC1(C)CN(Cc2cncc(Br)c2)C(C)(C)CN1
InChIInChI=1S/C14H22BrN3/c1-13(2)10-18(14(3,4)9-17-13)8-11-5-12(15)7-16-6-11/h5-7,17H,8-10H2,1-4H3
InChIKeyPZKBYWJFTQXXIC-UHFFFAOYSA-N
MW312.25 g/mol
LogP2.81
Rot. Bonds2

About 1-[(5-bromo-3-pyridinyl)methyl]-2,2,5,5-tetramethylpiperazine

1-[(5-bromo-3-pyridinyl)methyl]-2,2,5,5-tetramethylpiperazine (PubChem CID 104812423) has the molecular formula C14H22BrN3 and a molecular weight of 312.25 g/mol. Its IUPAC name is 1-[(5-bromo-3-pyridinyl)methyl]-2,2,5,5-tetramethylpiperazine.

Molecular Properties

Compound Name1-[(5-bromo-3-pyridinyl)methyl]-2,2,5,5-tetramethylpiperazine
PubChem CID104812423
Molecular FormulaC14H22BrN3
Molecular Weight312.25 g/mol
Exact Mass311.10
IUPAC Name1-[(5-bromo-3-pyridinyl)methyl]-2,2,5,5-tetramethylpiperazine
SMILESCC1(C)CN(Cc2cncc(Br)c2)C(C)(C)CN1
InChIInChI=1S/C14H22BrN3/c1-13(2)10-18(14(3,4)9-17-13)8-11-5-12(15)7-16-6-11/h5-7,17H,8-10H2,1-4H3
InChIKeyPZKBYWJFTQXXIC-UHFFFAOYSA-N
XLogP2.81
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
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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Frequently Asked Questions

What is the IUPAC name of 1-[(5-bromo-3-pyridinyl)methyl]-2,2,5,5-tetramethylpiperazine?
The IUPAC name of 1-[(5-bromo-3-pyridinyl)methyl]-2,2,5,5-tetramethylpiperazine (CID 104812423) is 1-[(5-bromo-3-pyridinyl)methyl]-2,2,5,5-tetramethylpiperazine.
What is the SMILES notation for 1-[(5-bromo-3-pyridinyl)methyl]-2,2,5,5-tetramethylpiperazine?
The canonical SMILES for 1-[(5-bromo-3-pyridinyl)methyl]-2,2,5,5-tetramethylpiperazine is CC1(C)CN(Cc2cncc(Br)c2)C(C)(C)CN1.
What is the InChIKey of 1-[(5-bromo-3-pyridinyl)methyl]-2,2,5,5-tetramethylpiperazine?
The InChIKey is PZKBYWJFTQXXIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22BrN3/c1-13(2)10-18(14(3,4)9-17-13)8-11-5-12(15)7-16-6-11/h5-7,17H,8-10H2,1-4H3.
What are the key properties of 1-[(5-bromo-3-pyridinyl)methyl]-2,2,5,5-tetramethylpiperazine?
1-[(5-bromo-3-pyridinyl)methyl]-2,2,5,5-tetramethylpiperazine has a molecular weight of 312.25 g/mol, XLogP of 2.81, 2 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]-2,2,5,5-tetramethylpiperazine is sourced from PubChem (CID 104812423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).