1-(3-bromo-5-methyl-2-pyridinyl)-4-cyclopropylpiperazine

C13H18BrN3 — CID 105367783

IUPAC1-(3-bromo-5-methyl-2-pyridinyl)-4-cyclopropylpiperazine
SMILESCc1cnc(N2CCN(C3CC3)CC2)c(Br)c1
InChIInChI=1S/C13H18BrN3/c1-10-8-12(14)13(15-9-10)17-6-4-16(5-7-17)11-2-3-11/h8-9,11H,2-7H2,1H3
InChIKeyHXDRPQKSQJJSIB-UHFFFAOYSA-N
MW296.21 g/mol
LogP2.44
Rot. Bonds2

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

1-(3-bromo-5-methyl-2-pyridinyl)-4-cyclopropylpiperazine (PubChem CID 105367783) has the molecular formula C13H18BrN3 and a molecular weight of 296.21 g/mol. Its IUPAC name is 1-(3-bromo-5-methyl-2-pyridinyl)-4-cyclopropylpiperazine.

Molecular Properties

Compound Name1-(3-bromo-5-methyl-2-pyridinyl)-4-cyclopropylpiperazine
PubChem CID105367783
Molecular FormulaC13H18BrN3
Molecular Weight296.21 g/mol
Exact Mass295.07
IUPAC Name1-(3-bromo-5-methyl-2-pyridinyl)-4-cyclopropylpiperazine
SMILESCc1cnc(N2CCN(C3CC3)CC2)c(Br)c1
InChIInChI=1S/C13H18BrN3/c1-10-8-12(14)13(15-9-10)17-6-4-16(5-7-17)11-2-3-11/h8-9,11H,2-7H2,1H3
InChIKeyHXDRPQKSQJJSIB-UHFFFAOYSA-N
XLogP2.44
TPSA19.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.21
LogP ≤ 52.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-bromo-2-(3-bromopyrrolidin-1-yl)-5-methylpyridine
CID 105368742
1-(3-bromo-5-methyl-2-pyridinyl)-4-propylazepane
CID 105367961
2-[1-(3-bromo-5-methyl-2-pyridinyl)piperidin-4-yl]ethanamine
CID 105367346
2-[4-(3-bromo-5-methyl-2-pyridinyl)piperazin-1-yl]ethanamine
CID 82167516
3-bromo-2-(3,5-dimethylpiperidin-1-yl)-5-methylpyridine
CID 105367629
(3R)-1-(3-bromo-5-methyl-2-pyridinyl)-3-methylpiperazine
CID 96944499
4-(3-bromo-5-methyl-2-pyridinyl)-1,2,6-trimethylpiperazine
CID 105368114
[1-(3-bromo-5-methyl-2-pyridinyl)azetidin-3-yl]methanol
CID 105367527
4-(3-bromo-5-methyl-2-pyridinyl)-2,6-dimethylthiomorpholine
CID 105367957
2-[1-(3-bromo-5-methyl-2-pyridinyl)piperidin-3-yl]ethanol
CID 105367514
1-(3-bromo-5-methyl-2-pyridinyl)-N,N-diethylpyrrolidin-3-amine
CID 105367921
1-(3-bromo-5-methyl-2-pyridinyl)-4-(3-chlorophenyl)piperazine
CID 105367643

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromo-5-methyl-2-pyridinyl)-4-cyclopropylpiperazine?
The IUPAC name of 1-(3-bromo-5-methyl-2-pyridinyl)-4-cyclopropylpiperazine (CID 105367783) is 1-(3-bromo-5-methyl-2-pyridinyl)-4-cyclopropylpiperazine.
What is the SMILES notation for 1-(3-bromo-5-methyl-2-pyridinyl)-4-cyclopropylpiperazine?
The canonical SMILES for 1-(3-bromo-5-methyl-2-pyridinyl)-4-cyclopropylpiperazine is Cc1cnc(N2CCN(C3CC3)CC2)c(Br)c1.
What is the InChIKey of 1-(3-bromo-5-methyl-2-pyridinyl)-4-cyclopropylpiperazine?
The InChIKey is HXDRPQKSQJJSIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18BrN3/c1-10-8-12(14)13(15-9-10)17-6-4-16(5-7-17)11-2-3-11/h8-9,11H,2-7H2,1H3.
What are the key properties of 1-(3-bromo-5-methyl-2-pyridinyl)-4-cyclopropylpiperazine?
1-(3-bromo-5-methyl-2-pyridinyl)-4-cyclopropylpiperazine has a molecular weight of 296.21 g/mol, XLogP of 2.44, 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-cyclopropylpiperazine is sourced from PubChem (CID 105367783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).