1-(2-butoxyethyl)-4-(4-ethyl-1,2,4-triazol-3-yl)piperidine

C15H28N4O — CID 91642346

IUPAC1-(2-butoxyethyl)-4-(4-ethyl-1,2,4-triazol-3-yl)piperidine
SMILESCCCCOCCN1CCC(c2nncn2CC)CC1
InChIInChI=1S/C15H28N4O/c1-3-5-11-20-12-10-18-8-6-14(7-9-18)15-17-16-13-19(15)4-2/h13-14H,3-12H2,1-2H3
InChIKeyQXDQEWRLSHHNJA-UHFFFAOYSA-N
MW280.42 g/mol
LogP2.29
Rot. Bonds8

About 1-(2-butoxyethyl)-4-(4-ethyl-1,2,4-triazol-3-yl)piperidine

1-(2-butoxyethyl)-4-(4-ethyl-1,2,4-triazol-3-yl)piperidine (PubChem CID 91642346) has the molecular formula C15H28N4O and a molecular weight of 280.42 g/mol. Its IUPAC name is 1-(2-butoxyethyl)-4-(4-ethyl-1,2,4-triazol-3-yl)piperidine.

Molecular Properties

Compound Name1-(2-butoxyethyl)-4-(4-ethyl-1,2,4-triazol-3-yl)piperidine
PubChem CID91642346
Molecular FormulaC15H28N4O
Molecular Weight280.42 g/mol
Exact Mass280.23
IUPAC Name1-(2-butoxyethyl)-4-(4-ethyl-1,2,4-triazol-3-yl)piperidine
SMILESCCCCOCCN1CCC(c2nncn2CC)CC1
InChIInChI=1S/C15H28N4O/c1-3-5-11-20-12-10-18-8-6-14(7-9-18)15-17-16-13-19(15)4-2/h13-14H,3-12H2,1-2H3
InChIKeyQXDQEWRLSHHNJA-UHFFFAOYSA-N
XLogP2.29
TPSA43.18 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.42
LogP ≤ 52.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(2-butoxyethyl)-4-(4-ethyl-1,2,4-triazol-3-yl)piperidine?
The IUPAC name of 1-(2-butoxyethyl)-4-(4-ethyl-1,2,4-triazol-3-yl)piperidine (CID 91642346) is 1-(2-butoxyethyl)-4-(4-ethyl-1,2,4-triazol-3-yl)piperidine.
What is the SMILES notation for 1-(2-butoxyethyl)-4-(4-ethyl-1,2,4-triazol-3-yl)piperidine?
The canonical SMILES for 1-(2-butoxyethyl)-4-(4-ethyl-1,2,4-triazol-3-yl)piperidine is CCCCOCCN1CCC(c2nncn2CC)CC1.
What is the InChIKey of 1-(2-butoxyethyl)-4-(4-ethyl-1,2,4-triazol-3-yl)piperidine?
The InChIKey is QXDQEWRLSHHNJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N4O/c1-3-5-11-20-12-10-18-8-6-14(7-9-18)15-17-16-13-19(15)4-2/h13-14H,3-12H2,1-2H3.
What are the key properties of 1-(2-butoxyethyl)-4-(4-ethyl-1,2,4-triazol-3-yl)piperidine?
1-(2-butoxyethyl)-4-(4-ethyl-1,2,4-triazol-3-yl)piperidine has a molecular weight of 280.42 g/mol, XLogP of 2.29, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-butoxyethyl)-4-(4-ethyl-1,2,4-triazol-3-yl)piperidine is sourced from PubChem (CID 91642346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).