2-methylpropyl 5-methyl-1-(2-piperidin-1-ylethyl)triazole-4-carboxylate

C15H26N4O2 — CID 103112836

IUPAC2-methylpropyl 5-methyl-1-(2-piperidin-1-ylethyl)triazole-4-carboxylate
SMILESCc1c(C(=O)OCC(C)C)nnn1CCN1CCCCC1
InChIInChI=1S/C15H26N4O2/c1-12(2)11-21-15(20)14-13(3)19(17-16-14)10-9-18-7-5-4-6-8-18/h12H,4-11H2,1-3H3
InChIKeyLZRMZHVXNXVUNZ-UHFFFAOYSA-N
MW294.40 g/mol
LogP1.89
Rot. Bonds6

About 2-methylpropyl 5-methyl-1-(2-piperidin-1-ylethyl)triazole-4-carboxylate

2-methylpropyl 5-methyl-1-(2-piperidin-1-ylethyl)triazole-4-carboxylate (PubChem CID 103112836) has the molecular formula C15H26N4O2 and a molecular weight of 294.40 g/mol. Its IUPAC name is 2-methylpropyl 5-methyl-1-(2-piperidin-1-ylethyl)triazole-4-carboxylate.

Molecular Properties

Compound Name2-methylpropyl 5-methyl-1-(2-piperidin-1-ylethyl)triazole-4-carboxylate
PubChem CID103112836
Molecular FormulaC15H26N4O2
Molecular Weight294.40 g/mol
Exact Mass294.21
IUPAC Name2-methylpropyl 5-methyl-1-(2-piperidin-1-ylethyl)triazole-4-carboxylate
SMILESCc1c(C(=O)OCC(C)C)nnn1CCN1CCCCC1
InChIInChI=1S/C15H26N4O2/c1-12(2)11-21-15(20)14-13(3)19(17-16-14)10-9-18-7-5-4-6-8-18/h12H,4-11H2,1-3H3
InChIKeyLZRMZHVXNXVUNZ-UHFFFAOYSA-N
XLogP1.89
TPSA60.25 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.40
LogP ≤ 51.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-methylpropyl 5-methyl-1-(2-piperidin-1-ylethyl)triazole-4-carboxylate?
The IUPAC name of 2-methylpropyl 5-methyl-1-(2-piperidin-1-ylethyl)triazole-4-carboxylate (CID 103112836) is 2-methylpropyl 5-methyl-1-(2-piperidin-1-ylethyl)triazole-4-carboxylate.
What is the SMILES notation for 2-methylpropyl 5-methyl-1-(2-piperidin-1-ylethyl)triazole-4-carboxylate?
The canonical SMILES for 2-methylpropyl 5-methyl-1-(2-piperidin-1-ylethyl)triazole-4-carboxylate is Cc1c(C(=O)OCC(C)C)nnn1CCN1CCCCC1.
What is the InChIKey of 2-methylpropyl 5-methyl-1-(2-piperidin-1-ylethyl)triazole-4-carboxylate?
The InChIKey is LZRMZHVXNXVUNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N4O2/c1-12(2)11-21-15(20)14-13(3)19(17-16-14)10-9-18-7-5-4-6-8-18/h12H,4-11H2,1-3H3.
What are the key properties of 2-methylpropyl 5-methyl-1-(2-piperidin-1-ylethyl)triazole-4-carboxylate?
2-methylpropyl 5-methyl-1-(2-piperidin-1-ylethyl)triazole-4-carboxylate has a molecular weight of 294.40 g/mol, XLogP of 1.89, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylpropyl 5-methyl-1-(2-piperidin-1-ylethyl)triazole-4-carboxylate is sourced from PubChem (CID 103112836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).