1-(3-bromo-4-pyridinyl)-4-(2,3-dimethylphenyl)piperazine

C17H20BrN3 — CID 104777973

IUPAC1-(3-bromo-4-pyridinyl)-4-(2,3-dimethylphenyl)piperazine
SMILESCc1cccc(N2CCN(c3ccncc3Br)CC2)c1C
InChIInChI=1S/C17H20BrN3/c1-13-4-3-5-16(14(13)2)20-8-10-21(11-9-20)17-6-7-19-12-15(17)18/h3-7,12H,8-11H2,1-2H3
InChIKeyQIHVYRGCUSOWFZ-UHFFFAOYSA-N
MW346.27 g/mol
LogP3.79
Rot. Bonds2

About 1-(3-bromo-4-pyridinyl)-4-(2,3-dimethylphenyl)piperazine

1-(3-bromo-4-pyridinyl)-4-(2,3-dimethylphenyl)piperazine (PubChem CID 104777973) has the molecular formula C17H20BrN3 and a molecular weight of 346.27 g/mol. Its IUPAC name is 1-(3-bromo-4-pyridinyl)-4-(2,3-dimethylphenyl)piperazine.

Molecular Properties

Compound Name1-(3-bromo-4-pyridinyl)-4-(2,3-dimethylphenyl)piperazine
PubChem CID104777973
Molecular FormulaC17H20BrN3
Molecular Weight346.27 g/mol
Exact Mass345.08
IUPAC Name1-(3-bromo-4-pyridinyl)-4-(2,3-dimethylphenyl)piperazine
SMILESCc1cccc(N2CCN(c3ccncc3Br)CC2)c1C
InChIInChI=1S/C17H20BrN3/c1-13-4-3-5-16(14(13)2)20-8-10-21(11-9-20)17-6-7-19-12-15(17)18/h3-7,12H,8-11H2,1-2H3
InChIKeyQIHVYRGCUSOWFZ-UHFFFAOYSA-N
XLogP3.79
TPSA19.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.27
LogP ≤ 53.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-bromo-4-(3,6-dihydro-2H-pyridin-1-yl)pyridine
CID 114412429
1-(3-bromo-4-pyridinyl)piperidin-4-ol
CID 104777750
5-chloro-2-[4-(2,3-dimethylphenyl)piperazin-1-yl]pyrimidine
CID 155942484
3-bromo-4-(4-methoxypiperidin-1-yl)pyridine
CID 104778046
1-(3-bromo-4-pyridinyl)-4-(2-chloroethyl)piperazine
CID 104779395
3-[4-(3-bromo-4-pyridinyl)piperazin-1-yl]propan-1-amine
CID 104776533
4-[6-[4-(2,3-dimethylphenyl)piperazin-1-yl]pyrimidin-4-yl]piperazine-1-carbaldehyde
CID 112858244
1-[4-(2,3-dimethylphenyl)piperazin-1-yl]ethanol
CID 142710465
5-[4-(2,3-dimethylphenyl)piperazin-1-yl]-3-methylpyridin-2-amine
CID 83970373
1-(3-bromo-4-pyridinyl)-N,N-dimethylazepan-4-amine
CID 163374943
(3aR,8aS)-6-(3-bromo-4-pyridinyl)-2,3,3a,4,5,7,8,8a-octahydro-1H-pyrrolo[3,4-d]azepine
CID 128843555
1-[4-(2,3-dimethylphenyl)piperazin-1-yl]-3-pyridin-3-ylbutan-1-one
CID 110648962

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromo-4-pyridinyl)-4-(2,3-dimethylphenyl)piperazine?
The IUPAC name of 1-(3-bromo-4-pyridinyl)-4-(2,3-dimethylphenyl)piperazine (CID 104777973) is 1-(3-bromo-4-pyridinyl)-4-(2,3-dimethylphenyl)piperazine.
What is the SMILES notation for 1-(3-bromo-4-pyridinyl)-4-(2,3-dimethylphenyl)piperazine?
The canonical SMILES for 1-(3-bromo-4-pyridinyl)-4-(2,3-dimethylphenyl)piperazine is Cc1cccc(N2CCN(c3ccncc3Br)CC2)c1C.
What is the InChIKey of 1-(3-bromo-4-pyridinyl)-4-(2,3-dimethylphenyl)piperazine?
The InChIKey is QIHVYRGCUSOWFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20BrN3/c1-13-4-3-5-16(14(13)2)20-8-10-21(11-9-20)17-6-7-19-12-15(17)18/h3-7,12H,8-11H2,1-2H3.
What are the key properties of 1-(3-bromo-4-pyridinyl)-4-(2,3-dimethylphenyl)piperazine?
1-(3-bromo-4-pyridinyl)-4-(2,3-dimethylphenyl)piperazine has a molecular weight of 346.27 g/mol, XLogP of 3.79, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromo-4-pyridinyl)-4-(2,3-dimethylphenyl)piperazine is sourced from PubChem (CID 104777973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).