1-[5-(bromomethyl)-3-methyl-2-pyridinyl]-4-pyridin-2-ylpiperazine

C16H19BrN4 — CID 107079300

IUPAC1-[5-(bromomethyl)-3-methyl-2-pyridinyl]-4-pyridin-2-ylpiperazine
SMILESCc1cc(CBr)cnc1N1CCN(c2ccccn2)CC1
InChIInChI=1S/C16H19BrN4/c1-13-10-14(11-17)12-19-16(13)21-8-6-20(7-9-21)15-4-2-3-5-18-15/h2-5,10,12H,6-9,11H2,1H3
InChIKeyUBYBFMDSYQWVJW-UHFFFAOYSA-N
MW347.26 g/mol
LogP3.01
Rot. Bonds3

About 1-[5-(bromomethyl)-3-methyl-2-pyridinyl]-4-pyridin-2-ylpiperazine

1-[5-(bromomethyl)-3-methyl-2-pyridinyl]-4-pyridin-2-ylpiperazine (PubChem CID 107079300) has the molecular formula C16H19BrN4 and a molecular weight of 347.26 g/mol. Its IUPAC name is 1-[5-(bromomethyl)-3-methyl-2-pyridinyl]-4-pyridin-2-ylpiperazine.

Molecular Properties

Compound Name1-[5-(bromomethyl)-3-methyl-2-pyridinyl]-4-pyridin-2-ylpiperazine
PubChem CID107079300
Molecular FormulaC16H19BrN4
Molecular Weight347.26 g/mol
Exact Mass346.08
IUPAC Name1-[5-(bromomethyl)-3-methyl-2-pyridinyl]-4-pyridin-2-ylpiperazine
SMILESCc1cc(CBr)cnc1N1CCN(c2ccccn2)CC1
InChIInChI=1S/C16H19BrN4/c1-13-10-14(11-17)12-19-16(13)21-8-6-20(7-9-21)15-4-2-3-5-18-15/h2-5,10,12H,6-9,11H2,1H3
InChIKeyUBYBFMDSYQWVJW-UHFFFAOYSA-N
XLogP3.01
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.26
LogP ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

1-[5-(bromomethyl)-2-pyridinyl]-4-pyridin-2-ylpiperazine
CID 107079304
1-[5-(bromomethyl)-3-methyl-2-pyridinyl]-4-(2,2,2-trifluoroethyl)piperazine
CID 107082997
1-[5-(bromomethyl)-3-methyl-2-pyridinyl]-4-methyl-2,3-dihydroquinoxaline
CID 107083734
1-(5-bromo-4-methyl-2-pyridinyl)-4-pyridin-2-ylpiperazine
CID 115773812
1-[5-(bromomethyl)-3-methyl-2-pyridinyl]-4,4-dimethylazepane
CID 107084111
3,7-dimethyl-2-(4-pyridin-2-ylpiperazin-1-yl)quinoline
CID 2851670
5-(bromomethyl)-3-methyl-2-(3-methylpyrrolidin-1-yl)pyridine
CID 107080841
4-[5-(bromomethyl)-3-methyl-2-pyridinyl]-2-ethylmorpholine
CID 107080311
5-(bromomethyl)-2-(3-ethylpiperidin-1-yl)-3-methylpyridine
CID 107080495
1-[5-(bromomethyl)-3-methyl-2-pyridinyl]-N,N-dimethylpyrrolidin-3-amine
CID 107083279
1-(2-bromoethyl)-4-pyridin-2-ylpiperazine
CID 61288555
5-bromo-4-(4-pyridin-2-ylpiperazin-1-yl)pyrimidine
CID 66341717

Frequently Asked Questions

What is the IUPAC name of 1-[5-(bromomethyl)-3-methyl-2-pyridinyl]-4-pyridin-2-ylpiperazine?
The IUPAC name of 1-[5-(bromomethyl)-3-methyl-2-pyridinyl]-4-pyridin-2-ylpiperazine (CID 107079300) is 1-[5-(bromomethyl)-3-methyl-2-pyridinyl]-4-pyridin-2-ylpiperazine.
What is the SMILES notation for 1-[5-(bromomethyl)-3-methyl-2-pyridinyl]-4-pyridin-2-ylpiperazine?
The canonical SMILES for 1-[5-(bromomethyl)-3-methyl-2-pyridinyl]-4-pyridin-2-ylpiperazine is Cc1cc(CBr)cnc1N1CCN(c2ccccn2)CC1.
What is the InChIKey of 1-[5-(bromomethyl)-3-methyl-2-pyridinyl]-4-pyridin-2-ylpiperazine?
The InChIKey is UBYBFMDSYQWVJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19BrN4/c1-13-10-14(11-17)12-19-16(13)21-8-6-20(7-9-21)15-4-2-3-5-18-15/h2-5,10,12H,6-9,11H2,1H3.
What are the key properties of 1-[5-(bromomethyl)-3-methyl-2-pyridinyl]-4-pyridin-2-ylpiperazine?
1-[5-(bromomethyl)-3-methyl-2-pyridinyl]-4-pyridin-2-ylpiperazine has a molecular weight of 347.26 g/mol, XLogP of 3.01, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(bromomethyl)-3-methyl-2-pyridinyl]-4-pyridin-2-ylpiperazine is sourced from PubChem (CID 107079300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).