1-(5-bromo-3-methyltriazol-4-yl)-2-methyl-2-piperidin-1-ylbutan-1-amine

C13H24BrN5 — CID 106462639

IUPAC1-(5-bromo-3-methyltriazol-4-yl)-2-methyl-2-piperidin-1-ylbutan-1-amine
SMILESCCC(C)(C(N)c1c(Br)nnn1C)N1CCCCC1
InChIInChI=1S/C13H24BrN5/c1-4-13(2,19-8-6-5-7-9-19)11(15)10-12(14)16-17-18(10)3/h11H,4-9,15H2,1-3H3
InChIKeyYHXYLRPLAORKQR-UHFFFAOYSA-N
MW330.27 g/mol
LogP2.23
Rot. Bonds4

About 1-(5-bromo-3-methyltriazol-4-yl)-2-methyl-2-piperidin-1-ylbutan-1-amine

1-(5-bromo-3-methyltriazol-4-yl)-2-methyl-2-piperidin-1-ylbutan-1-amine (PubChem CID 106462639) has the molecular formula C13H24BrN5 and a molecular weight of 330.27 g/mol. Its IUPAC name is 1-(5-bromo-3-methyltriazol-4-yl)-2-methyl-2-piperidin-1-ylbutan-1-amine.

Molecular Properties

Compound Name1-(5-bromo-3-methyltriazol-4-yl)-2-methyl-2-piperidin-1-ylbutan-1-amine
PubChem CID106462639
Molecular FormulaC13H24BrN5
Molecular Weight330.27 g/mol
Exact Mass329.12
IUPAC Name1-(5-bromo-3-methyltriazol-4-yl)-2-methyl-2-piperidin-1-ylbutan-1-amine
SMILESCCC(C)(C(N)c1c(Br)nnn1C)N1CCCCC1
InChIInChI=1S/C13H24BrN5/c1-4-13(2,19-8-6-5-7-9-19)11(15)10-12(14)16-17-18(10)3/h11H,4-9,15H2,1-3H3
InChIKeyYHXYLRPLAORKQR-UHFFFAOYSA-N
XLogP2.23
TPSA59.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.27
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-3-methyltriazol-4-yl)-2-methyl-2-piperidin-1-ylbutan-1-amine?
The IUPAC name of 1-(5-bromo-3-methyltriazol-4-yl)-2-methyl-2-piperidin-1-ylbutan-1-amine (CID 106462639) is 1-(5-bromo-3-methyltriazol-4-yl)-2-methyl-2-piperidin-1-ylbutan-1-amine.
What is the SMILES notation for 1-(5-bromo-3-methyltriazol-4-yl)-2-methyl-2-piperidin-1-ylbutan-1-amine?
The canonical SMILES for 1-(5-bromo-3-methyltriazol-4-yl)-2-methyl-2-piperidin-1-ylbutan-1-amine is CCC(C)(C(N)c1c(Br)nnn1C)N1CCCCC1.
What is the InChIKey of 1-(5-bromo-3-methyltriazol-4-yl)-2-methyl-2-piperidin-1-ylbutan-1-amine?
The InChIKey is YHXYLRPLAORKQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24BrN5/c1-4-13(2,19-8-6-5-7-9-19)11(15)10-12(14)16-17-18(10)3/h11H,4-9,15H2,1-3H3.
What are the key properties of 1-(5-bromo-3-methyltriazol-4-yl)-2-methyl-2-piperidin-1-ylbutan-1-amine?
1-(5-bromo-3-methyltriazol-4-yl)-2-methyl-2-piperidin-1-ylbutan-1-amine has a molecular weight of 330.27 g/mol, XLogP of 2.23, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromo-3-methyltriazol-4-yl)-2-methyl-2-piperidin-1-ylbutan-1-amine is sourced from PubChem (CID 106462639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).