4-[(5-bromotriazol-1-yl)methyl]piperidine

C8H13BrN4 — CID 84802804

IUPAC4-[(5-bromotriazol-1-yl)methyl]piperidine
SMILESBrc1cnnn1CC1CCNCC1
InChIInChI=1S/C8H13BrN4/c9-8-5-11-12-13(8)6-7-1-3-10-4-2-7/h5,7,10H,1-4,6H2
InChIKeyPEYHWZTUXOABKK-UHFFFAOYSA-N
MW245.12 g/mol
LogP1.04
Rot. Bonds2

About 4-[(5-bromotriazol-1-yl)methyl]piperidine

4-[(5-bromotriazol-1-yl)methyl]piperidine (PubChem CID 84802804) has the molecular formula C8H13BrN4 and a molecular weight of 245.12 g/mol. Its IUPAC name is 4-[(5-bromotriazol-1-yl)methyl]piperidine.

Molecular Properties

Compound Name4-[(5-bromotriazol-1-yl)methyl]piperidine
PubChem CID84802804
Molecular FormulaC8H13BrN4
Molecular Weight245.12 g/mol
Exact Mass244.03
IUPAC Name4-[(5-bromotriazol-1-yl)methyl]piperidine
SMILESBrc1cnnn1CC1CCNCC1
InChIInChI=1S/C8H13BrN4/c9-8-5-11-12-13(8)6-7-1-3-10-4-2-7/h5,7,10H,1-4,6H2
InChIKeyPEYHWZTUXOABKK-UHFFFAOYSA-N
XLogP1.04
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.12
LogP ≤ 51.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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1-(cyclohexylmethyl)-5-methyltriazole
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4-methyl-1-(piperidin-4-ylmethyl)indazole
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5-bromo-3-(piperidin-4-ylmethyl)pyridazine
CID 117105469
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CID 121208781
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Frequently Asked Questions

What is the IUPAC name of 4-[(5-bromotriazol-1-yl)methyl]piperidine?
The IUPAC name of 4-[(5-bromotriazol-1-yl)methyl]piperidine (CID 84802804) is 4-[(5-bromotriazol-1-yl)methyl]piperidine.
What is the SMILES notation for 4-[(5-bromotriazol-1-yl)methyl]piperidine?
The canonical SMILES for 4-[(5-bromotriazol-1-yl)methyl]piperidine is Brc1cnnn1CC1CCNCC1.
What is the InChIKey of 4-[(5-bromotriazol-1-yl)methyl]piperidine?
The InChIKey is PEYHWZTUXOABKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13BrN4/c9-8-5-11-12-13(8)6-7-1-3-10-4-2-7/h5,7,10H,1-4,6H2.
What are the key properties of 4-[(5-bromotriazol-1-yl)methyl]piperidine?
4-[(5-bromotriazol-1-yl)methyl]piperidine has a molecular weight of 245.12 g/mol, XLogP of 1.04, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(5-bromotriazol-1-yl)methyl]piperidine is sourced from PubChem (CID 84802804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).