4-[2-(5-methyl-4-propyl-1,2,4-triazol-3-yl)ethoxy]piperidine

C13H24N4O — CID 55251330

IUPAC4-[2-(5-methyl-4-propyl-1,2,4-triazol-3-yl)ethoxy]piperidine
SMILESCCCn1c(C)nnc1CCOC1CCNCC1
InChIInChI=1S/C13H24N4O/c1-3-9-17-11(2)15-16-13(17)6-10-18-12-4-7-14-8-5-12/h12,14H,3-10H2,1-2H3
InChIKeyDNCOOTWOZXVBJD-UHFFFAOYSA-N
MW252.36 g/mol
LogP1.31
Rot. Bonds6

About 4-[2-(5-methyl-4-propyl-1,2,4-triazol-3-yl)ethoxy]piperidine

4-[2-(5-methyl-4-propyl-1,2,4-triazol-3-yl)ethoxy]piperidine (PubChem CID 55251330) has the molecular formula C13H24N4O and a molecular weight of 252.36 g/mol. Its IUPAC name is 4-[2-(5-methyl-4-propyl-1,2,4-triazol-3-yl)ethoxy]piperidine.

Molecular Properties

Compound Name4-[2-(5-methyl-4-propyl-1,2,4-triazol-3-yl)ethoxy]piperidine
PubChem CID55251330
Molecular FormulaC13H24N4O
Molecular Weight252.36 g/mol
Exact Mass252.20
IUPAC Name4-[2-(5-methyl-4-propyl-1,2,4-triazol-3-yl)ethoxy]piperidine
SMILESCCCn1c(C)nnc1CCOC1CCNCC1
InChIInChI=1S/C13H24N4O/c1-3-9-17-11(2)15-16-13(17)6-10-18-12-4-7-14-8-5-12/h12,14H,3-10H2,1-2H3
InChIKeyDNCOOTWOZXVBJD-UHFFFAOYSA-N
XLogP1.31
TPSA51.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.36
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(5-methyl-4-propyl-1,2,4-triazol-3-yl)ethoxy]piperidine?
The IUPAC name of 4-[2-(5-methyl-4-propyl-1,2,4-triazol-3-yl)ethoxy]piperidine (CID 55251330) is 4-[2-(5-methyl-4-propyl-1,2,4-triazol-3-yl)ethoxy]piperidine.
What is the SMILES notation for 4-[2-(5-methyl-4-propyl-1,2,4-triazol-3-yl)ethoxy]piperidine?
The canonical SMILES for 4-[2-(5-methyl-4-propyl-1,2,4-triazol-3-yl)ethoxy]piperidine is CCCn1c(C)nnc1CCOC1CCNCC1.
What is the InChIKey of 4-[2-(5-methyl-4-propyl-1,2,4-triazol-3-yl)ethoxy]piperidine?
The InChIKey is DNCOOTWOZXVBJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4O/c1-3-9-17-11(2)15-16-13(17)6-10-18-12-4-7-14-8-5-12/h12,14H,3-10H2,1-2H3.
What are the key properties of 4-[2-(5-methyl-4-propyl-1,2,4-triazol-3-yl)ethoxy]piperidine?
4-[2-(5-methyl-4-propyl-1,2,4-triazol-3-yl)ethoxy]piperidine has a molecular weight of 252.36 g/mol, XLogP of 1.31, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(5-methyl-4-propyl-1,2,4-triazol-3-yl)ethoxy]piperidine is sourced from PubChem (CID 55251330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).