2-(5-bromo-3-methyltriazol-4-yl)-4-methylpiperidine

C9H15BrN4 — CID 106463437

IUPAC2-(5-bromo-3-methyltriazol-4-yl)-4-methylpiperidine
SMILESCC1CCNC(c2c(Br)nnn2C)C1
InChIInChI=1S/C9H15BrN4/c1-6-3-4-11-7(5-6)8-9(10)12-13-14(8)2/h6-7,11H,3-5H2,1-2H3
InChIKeyOLAPWRCPBSGCIA-UHFFFAOYSA-N
MW259.15 g/mol
LogP1.64
Rot. Bonds1

About 2-(5-bromo-3-methyltriazol-4-yl)-4-methylpiperidine

2-(5-bromo-3-methyltriazol-4-yl)-4-methylpiperidine (PubChem CID 106463437) has the molecular formula C9H15BrN4 and a molecular weight of 259.15 g/mol. Its IUPAC name is 2-(5-bromo-3-methyltriazol-4-yl)-4-methylpiperidine.

Molecular Properties

Compound Name2-(5-bromo-3-methyltriazol-4-yl)-4-methylpiperidine
PubChem CID106463437
Molecular FormulaC9H15BrN4
Molecular Weight259.15 g/mol
Exact Mass258.05
IUPAC Name2-(5-bromo-3-methyltriazol-4-yl)-4-methylpiperidine
SMILESCC1CCNC(c2c(Br)nnn2C)C1
InChIInChI=1S/C9H15BrN4/c1-6-3-4-11-7(5-6)8-9(10)12-13-14(8)2/h6-7,11H,3-5H2,1-2H3
InChIKeyOLAPWRCPBSGCIA-UHFFFAOYSA-N
XLogP1.64
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.15
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(5-bromo-3-methyltriazol-4-yl)cyclopentan-1-ol
CID 106463551
(2R,4R)-4-methyl-2-(2H-tetrazol-5-yl)piperidine
CID 70338968
2-(1,3-dimethylpyrazol-4-yl)-4-methylpiperidine
CID 130682300
3-(5-bromo-3-methyltriazol-4-yl)-N-ethylcyclopentan-1-amine
CID 106463493
2-(3-ethyltriazol-4-yl)-4-methylpiperidine
CID 130484363
1-methyl-2-(4-methylpiperidin-2-yl)imidazo[4,5-b]pyridine
CID 114113135
(4R)-2,4-dimethylpiperidine
CID 144551274
2-(4-methylpiperidin-2-yl)-1-propylbenzimidazole
CID 114422438
5-(4-methylpiperidin-2-yl)-1H-1,2,4-triazol-3-amine
CID 114426843
4-[(2S,4R)-4-methylpiperidin-2-yl]phenol
CID 138627789
2-(5-bromo-3-methyltriazol-4-yl)-N-ethylcyclopentan-1-amine
CID 106463411
4-bromo-5-[fluoro(pyrrolidin-2-yl)methyl]-1-methyltriazole
CID 106640206

Frequently Asked Questions

What is the IUPAC name of 2-(5-bromo-3-methyltriazol-4-yl)-4-methylpiperidine?
The IUPAC name of 2-(5-bromo-3-methyltriazol-4-yl)-4-methylpiperidine (CID 106463437) is 2-(5-bromo-3-methyltriazol-4-yl)-4-methylpiperidine.
What is the SMILES notation for 2-(5-bromo-3-methyltriazol-4-yl)-4-methylpiperidine?
The canonical SMILES for 2-(5-bromo-3-methyltriazol-4-yl)-4-methylpiperidine is CC1CCNC(c2c(Br)nnn2C)C1.
What is the InChIKey of 2-(5-bromo-3-methyltriazol-4-yl)-4-methylpiperidine?
The InChIKey is OLAPWRCPBSGCIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15BrN4/c1-6-3-4-11-7(5-6)8-9(10)12-13-14(8)2/h6-7,11H,3-5H2,1-2H3.
What are the key properties of 2-(5-bromo-3-methyltriazol-4-yl)-4-methylpiperidine?
2-(5-bromo-3-methyltriazol-4-yl)-4-methylpiperidine has a molecular weight of 259.15 g/mol, XLogP of 1.64, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-bromo-3-methyltriazol-4-yl)-4-methylpiperidine is sourced from PubChem (CID 106463437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).