2-(4-bromopiperidin-1-yl)pyrazine

C9H12BrN3 — CID 80674882

IUPAC2-(4-bromopiperidin-1-yl)pyrazine
SMILESBrC1CCN(c2cnccn2)CC1
InChIInChI=1S/C9H12BrN3/c10-8-1-5-13(6-2-8)9-7-11-3-4-12-9/h3-4,7-8H,1-2,5-6H2
InChIKeyVKNLPRZHRUTPMK-UHFFFAOYSA-N
MW242.12 g/mol
LogP1.84
Rot. Bonds1

About 2-(4-bromopiperidin-1-yl)pyrazine

2-(4-bromopiperidin-1-yl)pyrazine (PubChem CID 80674882) has the molecular formula C9H12BrN3 and a molecular weight of 242.12 g/mol. Its IUPAC name is 2-(4-bromopiperidin-1-yl)pyrazine.

Molecular Properties

Compound Name2-(4-bromopiperidin-1-yl)pyrazine
PubChem CID80674882
Molecular FormulaC9H12BrN3
Molecular Weight242.12 g/mol
Exact Mass241.02
IUPAC Name2-(4-bromopiperidin-1-yl)pyrazine
SMILESBrC1CCN(c2cnccn2)CC1
InChIInChI=1S/C9H12BrN3/c10-8-1-5-13(6-2-8)9-7-11-3-4-12-9/h3-4,7-8H,1-2,5-6H2
InChIKeyVKNLPRZHRUTPMK-UHFFFAOYSA-N
XLogP1.84
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.12
LogP ≤ 51.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

(1-pyrazin-2-ylpiperidin-4-yl)methanamine;dihydrochloride
CID 56965638
(3R)-1-pyrazin-2-ylpyrrolidin-3-amine
CID 56965619
2-(4-imidazol-1-ylpiperidin-1-yl)pyrazine
CID 133301086
N'-hydroxy-1-pyrazin-2-ylpiperidine-4-carboximidamide
CID 131632877
2-(4-iodopiperazin-1-yl)pyrazine
CID 143021662
4-pyrazin-2-ylthiomorpholine
CID 131156249
N-[(1-pyrazin-2-ylpiperidin-4-yl)methyl]cyclopropanamine
CID 62592661
1-pyrazin-2-ylpiperidin-4-one
CID 14156398
(1-pyrazin-2-ylpyrrolidin-3-yl)methanol
CID 62372065
1,1,3-trimethyl-3-(1-pyrazin-2-ylpiperidin-4-yl)urea
CID 166603322
ethane;4-pyrazin-2-ylmorpholine
CID 143018931
5-chloro-N-methyl-N-(1-pyrazin-2-ylpiperidin-4-yl)pyrimidin-2-amine
CID 155942328

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromopiperidin-1-yl)pyrazine?
The IUPAC name of 2-(4-bromopiperidin-1-yl)pyrazine (CID 80674882) is 2-(4-bromopiperidin-1-yl)pyrazine.
What is the SMILES notation for 2-(4-bromopiperidin-1-yl)pyrazine?
The canonical SMILES for 2-(4-bromopiperidin-1-yl)pyrazine is BrC1CCN(c2cnccn2)CC1.
What is the InChIKey of 2-(4-bromopiperidin-1-yl)pyrazine?
The InChIKey is VKNLPRZHRUTPMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12BrN3/c10-8-1-5-13(6-2-8)9-7-11-3-4-12-9/h3-4,7-8H,1-2,5-6H2.
What are the key properties of 2-(4-bromopiperidin-1-yl)pyrazine?
2-(4-bromopiperidin-1-yl)pyrazine has a molecular weight of 242.12 g/mol, XLogP of 1.84, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromopiperidin-1-yl)pyrazine is sourced from PubChem (CID 80674882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).