1-(3-bromo-5-methyl-2-pyridinyl)-4-(3-chlorophenyl)piperazine

C16H17BrClN3 — CID 105367643

IUPAC1-(3-bromo-5-methyl-2-pyridinyl)-4-(3-chlorophenyl)piperazine
SMILESCc1cnc(N2CCN(c3cccc(Cl)c3)CC2)c(Br)c1
InChIInChI=1S/C16H17BrClN3/c1-12-9-15(17)16(19-11-12)21-7-5-20(6-8-21)14-4-2-3-13(18)10-14/h2-4,9-11H,5-8H2,1H3
InChIKeySEURTJQZNPHJFJ-UHFFFAOYSA-N
MW366.69 g/mol
LogP4.13
Rot. Bonds2

About 1-(3-bromo-5-methyl-2-pyridinyl)-4-(3-chlorophenyl)piperazine

1-(3-bromo-5-methyl-2-pyridinyl)-4-(3-chlorophenyl)piperazine (PubChem CID 105367643) has the molecular formula C16H17BrClN3 and a molecular weight of 366.69 g/mol. Its IUPAC name is 1-(3-bromo-5-methyl-2-pyridinyl)-4-(3-chlorophenyl)piperazine.

Molecular Properties

Compound Name1-(3-bromo-5-methyl-2-pyridinyl)-4-(3-chlorophenyl)piperazine
PubChem CID105367643
Molecular FormulaC16H17BrClN3
Molecular Weight366.69 g/mol
Exact Mass365.03
IUPAC Name1-(3-bromo-5-methyl-2-pyridinyl)-4-(3-chlorophenyl)piperazine
SMILESCc1cnc(N2CCN(c3cccc(Cl)c3)CC2)c(Br)c1
InChIInChI=1S/C16H17BrClN3/c1-12-9-15(17)16(19-11-12)21-7-5-20(6-8-21)14-4-2-3-13(18)10-14/h2-4,9-11H,5-8H2,1H3
InChIKeySEURTJQZNPHJFJ-UHFFFAOYSA-N
XLogP4.13
TPSA19.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.69
LogP ≤ 54.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-[4-(3-bromo-5-chloro-2-pyridinyl)piperazin-1-yl]aniline
CID 114836432
2-chloro-4-[4-(3-chlorophenyl)piperazin-1-yl]-5-methylpyrimidine
CID 79075282
4-[4-(3-chlorophenyl)piperazin-1-yl]-5-methylpyrimidin-2-amine
CID 80757578
5-bromo-4-[4-(3-methylphenyl)piperazin-1-yl]pyrimidine
CID 66343054
1-(3-bromo-5-chloro-2-pyridinyl)-4-(4-chlorophenyl)piperazine
CID 114836681
5-[4-(3-chlorophenyl)piperazin-1-yl]-3-methylpyridin-2-amine
CID 83970369
1-(3-bromo-5-methyl-2-pyridinyl)-4-cyclopropylpiperazine
CID 105367783
1-(6-bromo-2-pyridinyl)-4-(3-chlorophenyl)piperazine
CID 63960873
4-[4-(3-chlorophenyl)piperazin-1-yl]pyrimidin-5-amine
CID 79910450
4-[4-(3-chlorophenyl)piperazin-1-yl]-6-(4-methylpiperazin-1-yl)pyrimidin-5-amine
CID 19138163
1-(5-bromo-4-methyl-2-pyridinyl)-4-(3-methylphenyl)piperazine
CID 114870227
[4-(3-chlorophenyl)piperazin-1-yl]-(2-methylpyrimidin-5-yl)methanone
CID 96588883

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromo-5-methyl-2-pyridinyl)-4-(3-chlorophenyl)piperazine?
The IUPAC name of 1-(3-bromo-5-methyl-2-pyridinyl)-4-(3-chlorophenyl)piperazine (CID 105367643) is 1-(3-bromo-5-methyl-2-pyridinyl)-4-(3-chlorophenyl)piperazine.
What is the SMILES notation for 1-(3-bromo-5-methyl-2-pyridinyl)-4-(3-chlorophenyl)piperazine?
The canonical SMILES for 1-(3-bromo-5-methyl-2-pyridinyl)-4-(3-chlorophenyl)piperazine is Cc1cnc(N2CCN(c3cccc(Cl)c3)CC2)c(Br)c1.
What is the InChIKey of 1-(3-bromo-5-methyl-2-pyridinyl)-4-(3-chlorophenyl)piperazine?
The InChIKey is SEURTJQZNPHJFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17BrClN3/c1-12-9-15(17)16(19-11-12)21-7-5-20(6-8-21)14-4-2-3-13(18)10-14/h2-4,9-11H,5-8H2,1H3.
What are the key properties of 1-(3-bromo-5-methyl-2-pyridinyl)-4-(3-chlorophenyl)piperazine?
1-(3-bromo-5-methyl-2-pyridinyl)-4-(3-chlorophenyl)piperazine has a molecular weight of 366.69 g/mol, XLogP of 4.13, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromo-5-methyl-2-pyridinyl)-4-(3-chlorophenyl)piperazine is sourced from PubChem (CID 105367643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).