(2R)-1-(6-bromo-2-pyridinyl)-2-methylpiperazine

C10H14BrN3 — CID 97163339

IUPAC(2R)-1-(6-bromo-2-pyridinyl)-2-methylpiperazine
SMILESC[C@@H]1CNCCN1c1cccc(Br)n1
InChIInChI=1S/C10H14BrN3/c1-8-7-12-5-6-14(8)10-4-2-3-9(11)13-10/h2-4,8,12H,5-7H2,1H3/t8-/m1/s1
InChIKeyIKODLRXUJNQCRS-MRVPVSSYSA-N
MW256.15 g/mol
LogP1.64
Rot. Bonds1

About (2R)-1-(6-bromo-2-pyridinyl)-2-methylpiperazine

(2R)-1-(6-bromo-2-pyridinyl)-2-methylpiperazine (PubChem CID 97163339) has the molecular formula C10H14BrN3 and a molecular weight of 256.15 g/mol. Its IUPAC name is (2R)-1-(6-bromo-2-pyridinyl)-2-methylpiperazine.

Molecular Properties

Compound Name(2R)-1-(6-bromo-2-pyridinyl)-2-methylpiperazine
PubChem CID97163339
Molecular FormulaC10H14BrN3
Molecular Weight256.15 g/mol
Exact Mass255.04
IUPAC Name(2R)-1-(6-bromo-2-pyridinyl)-2-methylpiperazine
SMILESC[C@@H]1CNCCN1c1cccc(Br)n1
InChIInChI=1S/C10H14BrN3/c1-8-7-12-5-6-14(8)10-4-2-3-9(11)13-10/h2-4,8,12H,5-7H2,1H3/t8-/m1/s1
InChIKeyIKODLRXUJNQCRS-MRVPVSSYSA-N
XLogP1.64
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.15
LogP ≤ 51.64
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

1-(6-fluoro-2-pyridinyl)-2-methylpiperazine
CID 82670139
(2R)-2-methyl-1-pyridin-2-ylpiperazine;hydrochloride
CID 134500587
2-methyl-4-[(2R)-2-methylpiperazin-1-yl]pyrimidine
CID 94587097
2-chloro-4-[(2S)-2-methylpiperazin-1-yl]pyrimidine
CID 86329375
3-chloro-6-(2-methylpiperazin-1-yl)pyridazine
CID 62673005
2-chloro-6-(2-methylpiperazin-1-yl)pyrazine
CID 18186773
2-bromo-6-(2,5-dimethylpyrrolidin-1-yl)pyridine
CID 151614904
(2R)-1-(2,6-dichlorophenyl)-2-methylpiperazine
CID 11528873
1-(6-bromo-2-pyridinyl)-3-methylpiperazine;hydrochloride
CID 71639395
(2S)-2-methyl-1-pyridin-4-ylpiperazine
CID 94546152
2-methyl-1-(4-methyl-2-pyridinyl)piperazine;hydrochloride
CID 71639508
(2S)-1-(4-chloro-2-pyridinyl)-2-methylpiperazine
CID 96905168

Frequently Asked Questions

What is the IUPAC name of (2R)-1-(6-bromo-2-pyridinyl)-2-methylpiperazine?
The IUPAC name of (2R)-1-(6-bromo-2-pyridinyl)-2-methylpiperazine (CID 97163339) is (2R)-1-(6-bromo-2-pyridinyl)-2-methylpiperazine.
What is the SMILES notation for (2R)-1-(6-bromo-2-pyridinyl)-2-methylpiperazine?
The canonical SMILES for (2R)-1-(6-bromo-2-pyridinyl)-2-methylpiperazine is C[C@@H]1CNCCN1c1cccc(Br)n1.
What is the InChIKey of (2R)-1-(6-bromo-2-pyridinyl)-2-methylpiperazine?
The InChIKey is IKODLRXUJNQCRS-MRVPVSSYSA-N. The full InChI is InChI=1S/C10H14BrN3/c1-8-7-12-5-6-14(8)10-4-2-3-9(11)13-10/h2-4,8,12H,5-7H2,1H3/t8-/m1/s1.
What are the key properties of (2R)-1-(6-bromo-2-pyridinyl)-2-methylpiperazine?
(2R)-1-(6-bromo-2-pyridinyl)-2-methylpiperazine has a molecular weight of 256.15 g/mol, XLogP of 1.64, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-(6-bromo-2-pyridinyl)-2-methylpiperazine is sourced from PubChem (CID 97163339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).