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

C12H22N4O — CID 63876000

IUPAC4-[2-(4-propyl-1,2,4-triazol-3-yl)ethoxy]piperidine
SMILESCCCn1cnnc1CCOC1CCNCC1
InChIInChI=1S/C12H22N4O/c1-2-8-16-10-14-15-12(16)5-9-17-11-3-6-13-7-4-11/h10-11,13H,2-9H2,1H3
InChIKeyGERBXLZCECSHPO-UHFFFAOYSA-N
MW238.33 g/mol
LogP1.00
Rot. Bonds6

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

4-[2-(4-propyl-1,2,4-triazol-3-yl)ethoxy]piperidine (PubChem CID 63876000) has the molecular formula C12H22N4O and a molecular weight of 238.33 g/mol. Its IUPAC name is 4-[2-(4-propyl-1,2,4-triazol-3-yl)ethoxy]piperidine.

Molecular Properties

Compound Name4-[2-(4-propyl-1,2,4-triazol-3-yl)ethoxy]piperidine
PubChem CID63876000
Molecular FormulaC12H22N4O
Molecular Weight238.33 g/mol
Exact Mass238.18
IUPAC Name4-[2-(4-propyl-1,2,4-triazol-3-yl)ethoxy]piperidine
SMILESCCCn1cnnc1CCOC1CCNCC1
InChIInChI=1S/C12H22N4O/c1-2-8-16-10-14-15-12(16)5-9-17-11-3-6-13-7-4-11/h10-11,13H,2-9H2,1H3
InChIKeyGERBXLZCECSHPO-UHFFFAOYSA-N
XLogP1.00
TPSA51.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 51.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(4-propyl-1,2,4-triazol-3-yl)ethoxy]piperidine?
The IUPAC name of 4-[2-(4-propyl-1,2,4-triazol-3-yl)ethoxy]piperidine (CID 63876000) is 4-[2-(4-propyl-1,2,4-triazol-3-yl)ethoxy]piperidine.
What is the SMILES notation for 4-[2-(4-propyl-1,2,4-triazol-3-yl)ethoxy]piperidine?
The canonical SMILES for 4-[2-(4-propyl-1,2,4-triazol-3-yl)ethoxy]piperidine is CCCn1cnnc1CCOC1CCNCC1.
What is the InChIKey of 4-[2-(4-propyl-1,2,4-triazol-3-yl)ethoxy]piperidine?
The InChIKey is GERBXLZCECSHPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4O/c1-2-8-16-10-14-15-12(16)5-9-17-11-3-6-13-7-4-11/h10-11,13H,2-9H2,1H3.
What are the key properties of 4-[2-(4-propyl-1,2,4-triazol-3-yl)ethoxy]piperidine?
4-[2-(4-propyl-1,2,4-triazol-3-yl)ethoxy]piperidine has a molecular weight of 238.33 g/mol, XLogP of 1.00, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(4-propyl-1,2,4-triazol-3-yl)ethoxy]piperidine is sourced from PubChem (CID 63876000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).