1-(6-bromo-2-pyridinyl)-3-methylpiperazine;hydrochloride

C10H15BrClN3 — CID 71639395

IUPAC1-(6-bromo-2-pyridinyl)-3-methylpiperazine;hydrochloride
SMILESCC1CN(c2cccc(Br)n2)CCN1.Cl
InChIInChI=1S/C10H14BrN3.ClH/c1-8-7-14(6-5-12-8)10-4-2-3-9(11)13-10;/h2-4,8,12H,5-7H2,1H3;1H
InChIKeyUZSYKXPUVZWCBN-UHFFFAOYSA-N
MW292.61 g/mol
LogP2.06
Rot. Bonds1

About 1-(6-bromo-2-pyridinyl)-3-methylpiperazine;hydrochloride

1-(6-bromo-2-pyridinyl)-3-methylpiperazine;hydrochloride (PubChem CID 71639395) has the molecular formula C10H15BrClN3 and a molecular weight of 292.61 g/mol. Its IUPAC name is 1-(6-bromo-2-pyridinyl)-3-methylpiperazine;hydrochloride.

Molecular Properties

Compound Name1-(6-bromo-2-pyridinyl)-3-methylpiperazine;hydrochloride
PubChem CID71639395
Molecular FormulaC10H15BrClN3
Molecular Weight292.61 g/mol
Exact Mass291.01
IUPAC Name1-(6-bromo-2-pyridinyl)-3-methylpiperazine;hydrochloride
SMILESCC1CN(c2cccc(Br)n2)CCN1.Cl
InChIInChI=1S/C10H14BrN3.ClH/c1-8-7-14(6-5-12-8)10-4-2-3-9(11)13-10;/h2-4,8,12H,5-7H2,1H3;1H
InChIKeyUZSYKXPUVZWCBN-UHFFFAOYSA-N
XLogP2.06
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.61
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

2-bromo-6-(3-methylpyrrolidin-1-yl)pyridine
CID 63961516
3-methyl-1-[6-(trifluoromethyl)-2-pyridinyl]piperazine
CID 62478925
1-(6-bromo-2-pyridinyl)-3-methylpiperidin-4-ol
CID 114679698
6-[(3S)-3-methylpiperazin-1-yl]pyridine-2-carboxamide
CID 104977483
(3S)-1-(6-bromo-4-chloro-2-pyridinyl)-3-methylpiperazine
CID 178042521
(3S)-1-(6-ethoxy-2-pyridinyl)-3-methylpiperazine
CID 104977568
2-bromo-6-[(5S)-3,5-dimethylpiperidin-1-yl]pyridine
CID 170582340
(2S)-4-(6-bromo-2-pyridinyl)-2,6-dimethylmorpholine
CID 87428069
3-[(3S)-3-methylpiperazin-1-yl]pyridazine
CID 94453251
1-(6-bromo-2-pyridinyl)-3,3-dimethylpiperazine
CID 170991997
2-methyl-4-[(3S)-3-methylpiperazin-1-yl]pyrimidine
CID 94586892
1-(6-bromo-2-pyridinyl)-N-methylpiperidin-4-amine;hydrochloride
CID 71642777

Frequently Asked Questions

What is the IUPAC name of 1-(6-bromo-2-pyridinyl)-3-methylpiperazine;hydrochloride?
The IUPAC name of 1-(6-bromo-2-pyridinyl)-3-methylpiperazine;hydrochloride (CID 71639395) is 1-(6-bromo-2-pyridinyl)-3-methylpiperazine;hydrochloride.
What is the SMILES notation for 1-(6-bromo-2-pyridinyl)-3-methylpiperazine;hydrochloride?
The canonical SMILES for 1-(6-bromo-2-pyridinyl)-3-methylpiperazine;hydrochloride is CC1CN(c2cccc(Br)n2)CCN1.Cl.
What is the InChIKey of 1-(6-bromo-2-pyridinyl)-3-methylpiperazine;hydrochloride?
The InChIKey is UZSYKXPUVZWCBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14BrN3.ClH/c1-8-7-14(6-5-12-8)10-4-2-3-9(11)13-10;/h2-4,8,12H,5-7H2,1H3;1H.
What are the key properties of 1-(6-bromo-2-pyridinyl)-3-methylpiperazine;hydrochloride?
1-(6-bromo-2-pyridinyl)-3-methylpiperazine;hydrochloride has a molecular weight of 292.61 g/mol, XLogP of 2.06, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-bromo-2-pyridinyl)-3-methylpiperazine;hydrochloride is sourced from PubChem (CID 71639395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).