1-(5-bromo-3-pyridinyl)-4-propylpiperazine

C12H18BrN3 — CID 115657003

IUPAC1-(5-bromo-3-pyridinyl)-4-propylpiperazine
SMILESCCCN1CCN(c2cncc(Br)c2)CC1
InChIInChI=1S/C12H18BrN3/c1-2-3-15-4-6-16(7-5-15)12-8-11(13)9-14-10-12/h8-10H,2-7H2,1H3
InChIKeyCEEQRVRQJRGLCH-UHFFFAOYSA-N
MW284.20 g/mol
LogP2.38
Rot. Bonds3

About 1-(5-bromo-3-pyridinyl)-4-propylpiperazine

1-(5-bromo-3-pyridinyl)-4-propylpiperazine (PubChem CID 115657003) has the molecular formula C12H18BrN3 and a molecular weight of 284.20 g/mol. Its IUPAC name is 1-(5-bromo-3-pyridinyl)-4-propylpiperazine.

Molecular Properties

Compound Name1-(5-bromo-3-pyridinyl)-4-propylpiperazine
PubChem CID115657003
Molecular FormulaC12H18BrN3
Molecular Weight284.20 g/mol
Exact Mass283.07
IUPAC Name1-(5-bromo-3-pyridinyl)-4-propylpiperazine
SMILESCCCN1CCN(c2cncc(Br)c2)CC1
InChIInChI=1S/C12H18BrN3/c1-2-3-15-4-6-16(7-5-15)12-8-11(13)9-14-10-12/h8-10H,2-7H2,1H3
InChIKeyCEEQRVRQJRGLCH-UHFFFAOYSA-N
XLogP2.38
TPSA19.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.20
LogP ≤ 52.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(5-bromo-3-pyridinyl)-4-(2,2,2-trifluoroethyl)piperazine
CID 112695175
1-(5-bromo-3-pyridinyl)-4-(4-chlorophenyl)piperazine
CID 115657257
2-[4-(5-bromo-3-pyridinyl)piperazin-1-yl]-N-propan-2-ylacetamide
CID 129075200
1-(5-bromo-3-pyridinyl)-4-methylpiperazine;3,5-dibromopyridine;methane;1-methylpiperazine
CID 159974733
2-[4-(5-bromo-3-pyridinyl)piperazin-1-yl]pyrimidine
CID 112690429
1-[1-(5-bromo-3-pyridinyl)piperidin-4-yl]ethanol
CID 71871118
1-(5-bromo-3-pyridinyl)-4-[(5-chloro-2-pyridinyl)methyl]piperazine
CID 133465721
1-(5-bromo-3-pyridinyl)piperidin-4-amine
CID 70343493
1-(5-bromo-3-pyridinyl)-4-cyclopentylpiperazine
CID 113234116
1-[1-(5-bromo-3-pyridinyl)piperidin-4-yl]-N,N-dimethylmethanamine
CID 112695195
3-bromo-5-(3-ethoxyazetidin-1-yl)pyridine
CID 131007918
5-[[4-(5-bromo-3-pyridinyl)piperazin-1-yl]methyl]-3-(1-ethoxyethyl)-1,2,4-oxadiazole
CID 133324968

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-3-pyridinyl)-4-propylpiperazine?
The IUPAC name of 1-(5-bromo-3-pyridinyl)-4-propylpiperazine (CID 115657003) is 1-(5-bromo-3-pyridinyl)-4-propylpiperazine.
What is the SMILES notation for 1-(5-bromo-3-pyridinyl)-4-propylpiperazine?
The canonical SMILES for 1-(5-bromo-3-pyridinyl)-4-propylpiperazine is CCCN1CCN(c2cncc(Br)c2)CC1.
What is the InChIKey of 1-(5-bromo-3-pyridinyl)-4-propylpiperazine?
The InChIKey is CEEQRVRQJRGLCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18BrN3/c1-2-3-15-4-6-16(7-5-15)12-8-11(13)9-14-10-12/h8-10H,2-7H2,1H3.
What are the key properties of 1-(5-bromo-3-pyridinyl)-4-propylpiperazine?
1-(5-bromo-3-pyridinyl)-4-propylpiperazine has a molecular weight of 284.20 g/mol, XLogP of 2.38, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromo-3-pyridinyl)-4-propylpiperazine is sourced from PubChem (CID 115657003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).