2-[3-(bromomethyl)piperidin-1-yl]pyrazine

C10H14BrN3 — CID 80674587

IUPAC2-[3-(bromomethyl)piperidin-1-yl]pyrazine
SMILESBrCC1CCCN(c2cnccn2)C1
InChIInChI=1S/C10H14BrN3/c11-6-9-2-1-5-14(8-9)10-7-12-3-4-13-10/h3-4,7,9H,1-2,5-6,8H2
InChIKeyVPMPKTQFVFPRDO-UHFFFAOYSA-N
MW256.15 g/mol
LogP2.09
Rot. Bonds2

About 2-[3-(bromomethyl)piperidin-1-yl]pyrazine

2-[3-(bromomethyl)piperidin-1-yl]pyrazine (PubChem CID 80674587) has the molecular formula C10H14BrN3 and a molecular weight of 256.15 g/mol. Its IUPAC name is 2-[3-(bromomethyl)piperidin-1-yl]pyrazine.

Molecular Properties

Compound Name2-[3-(bromomethyl)piperidin-1-yl]pyrazine
PubChem CID80674587
Molecular FormulaC10H14BrN3
Molecular Weight256.15 g/mol
Exact Mass255.04
IUPAC Name2-[3-(bromomethyl)piperidin-1-yl]pyrazine
SMILESBrCC1CCCN(c2cnccn2)C1
InChIInChI=1S/C10H14BrN3/c11-6-9-2-1-5-14(8-9)10-7-12-3-4-13-10/h3-4,7,9H,1-2,5-6,8H2
InChIKeyVPMPKTQFVFPRDO-UHFFFAOYSA-N
XLogP2.09
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.15
LogP ≤ 52.09
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

2-(3-ethylpiperidin-1-yl)pyrazine
CID 146424567
2-[(3R)-3-(pyrazin-2-ylmethyl)piperidin-1-yl]pyrazine
CID 95840910
2-[(3S)-3-(pyrazin-2-ylmethyl)piperidin-1-yl]pyrazine
CID 95840909
(3S)-1-pyrazin-2-ylpiperidin-3-amine
CID 86277059
N-[(1-pyrazin-2-ylpiperidin-3-yl)methyl]propan-1-amine
CID 62586883
N,N-dimethyl-3-[(1-pyrazin-2-ylpiperidin-3-yl)methyl]pyrazin-2-amine
CID 110095072
N-methyl-3-[(1-pyrazin-2-ylpiperidin-3-yl)methyl]pyrazin-2-amine
CID 110095070
(3S)-N-methyl-1-pyrazin-2-ylpiperidin-3-amine
CID 94476433
(1-pyrazin-2-ylpyrrolidin-3-yl)methanol
CID 62372065
4-[3-(bromomethyl)piperidin-1-yl]-3-chloropyridine
CID 80674261
3-bromo-4-[3-(bromomethyl)piperidin-1-yl]pyridine
CID 104779490
2-[3-(bromomethyl)piperidin-1-yl]-5-fluoropyridine
CID 80672753

Frequently Asked Questions

What is the IUPAC name of 2-[3-(bromomethyl)piperidin-1-yl]pyrazine?
The IUPAC name of 2-[3-(bromomethyl)piperidin-1-yl]pyrazine (CID 80674587) is 2-[3-(bromomethyl)piperidin-1-yl]pyrazine.
What is the SMILES notation for 2-[3-(bromomethyl)piperidin-1-yl]pyrazine?
The canonical SMILES for 2-[3-(bromomethyl)piperidin-1-yl]pyrazine is BrCC1CCCN(c2cnccn2)C1.
What is the InChIKey of 2-[3-(bromomethyl)piperidin-1-yl]pyrazine?
The InChIKey is VPMPKTQFVFPRDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14BrN3/c11-6-9-2-1-5-14(8-9)10-7-12-3-4-13-10/h3-4,7,9H,1-2,5-6,8H2.
What are the key properties of 2-[3-(bromomethyl)piperidin-1-yl]pyrazine?
2-[3-(bromomethyl)piperidin-1-yl]pyrazine has a molecular weight of 256.15 g/mol, XLogP of 2.09, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(bromomethyl)piperidin-1-yl]pyrazine is sourced from PubChem (CID 80674587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).