4-(4-benzylpiperazin-1-yl)-5-bromopyridin-2-amine

C16H19BrN4 — CID 130949923

IUPAC4-(4-benzylpiperazin-1-yl)-5-bromopyridin-2-amine
SMILESNc1cc(N2CCN(Cc3ccccc3)CC2)c(Br)cn1
InChIInChI=1S/C16H19BrN4/c17-14-11-19-16(18)10-15(14)21-8-6-20(7-9-21)12-13-4-2-1-3-5-13/h1-5,10-11H,6-9,12H2,(H2,18,19)
InChIKeyKCZYWAWROHLROZ-UHFFFAOYSA-N
MW347.26 g/mol
LogP2.75
Rot. Bonds3

About 4-(4-benzylpiperazin-1-yl)-5-bromopyridin-2-amine

4-(4-benzylpiperazin-1-yl)-5-bromopyridin-2-amine (PubChem CID 130949923) has the molecular formula C16H19BrN4 and a molecular weight of 347.26 g/mol. Its IUPAC name is 4-(4-benzylpiperazin-1-yl)-5-bromopyridin-2-amine.

Molecular Properties

Compound Name4-(4-benzylpiperazin-1-yl)-5-bromopyridin-2-amine
PubChem CID130949923
Molecular FormulaC16H19BrN4
Molecular Weight347.26 g/mol
Exact Mass346.08
IUPAC Name4-(4-benzylpiperazin-1-yl)-5-bromopyridin-2-amine
SMILESNc1cc(N2CCN(Cc3ccccc3)CC2)c(Br)cn1
InChIInChI=1S/C16H19BrN4/c17-14-11-19-16(18)10-15(14)21-8-6-20(7-9-21)12-13-4-2-1-3-5-13/h1-5,10-11H,6-9,12H2,(H2,18,19)
InChIKeyKCZYWAWROHLROZ-UHFFFAOYSA-N
XLogP2.75
TPSA45.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.26
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-(4-benzylpiperazin-1-yl)-4-methylpyridin-2-amine
CID 83970332
2-(4-benzylpiperazin-1-yl)-5-bromoaniline
CID 11544746
2-(4-benzylpiperazin-1-yl)-6-chloropyrimidin-4-amine
CID 86161525
4-(4-benzylpiperazin-1-yl)-6-chloro-2,3-dimethylaniline
CID 91672004
1,4,7,10-tetrabenzyl-1,4,7,10-tetrazacyclododecane
CID 160853215
1-benzyl-4-(4-bromo-2-fluorophenyl)piperazine
CID 130302892
2-(4-benzylpiperazin-1-yl)-5-bromophenol
CID 46737219
6-(4-benzylpiperazin-1-yl)pyrazin-2-amine
CID 78988890
2-(4-benzylpiperazin-1-yl)-4,6-dimethylaniline
CID 91672089
5-[4-[(4-bromophenyl)methyl]piperazin-1-yl]pyridin-2-amine
CID 43461948
2-(4-benzylpiperazin-1-yl)-6-chloropyridin-4-amine
CID 104918654
4-(4-benzylpiperazin-1-yl)-6-chloroquinoline
CID 43840532

Frequently Asked Questions

What is the IUPAC name of 4-(4-benzylpiperazin-1-yl)-5-bromopyridin-2-amine?
The IUPAC name of 4-(4-benzylpiperazin-1-yl)-5-bromopyridin-2-amine (CID 130949923) is 4-(4-benzylpiperazin-1-yl)-5-bromopyridin-2-amine.
What is the SMILES notation for 4-(4-benzylpiperazin-1-yl)-5-bromopyridin-2-amine?
The canonical SMILES for 4-(4-benzylpiperazin-1-yl)-5-bromopyridin-2-amine is Nc1cc(N2CCN(Cc3ccccc3)CC2)c(Br)cn1.
What is the InChIKey of 4-(4-benzylpiperazin-1-yl)-5-bromopyridin-2-amine?
The InChIKey is KCZYWAWROHLROZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19BrN4/c17-14-11-19-16(18)10-15(14)21-8-6-20(7-9-21)12-13-4-2-1-3-5-13/h1-5,10-11H,6-9,12H2,(H2,18,19).
What are the key properties of 4-(4-benzylpiperazin-1-yl)-5-bromopyridin-2-amine?
4-(4-benzylpiperazin-1-yl)-5-bromopyridin-2-amine has a molecular weight of 347.26 g/mol, XLogP of 2.75, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-benzylpiperazin-1-yl)-5-bromopyridin-2-amine is sourced from PubChem (CID 130949923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).