4-[2-(3-cyclopropyl-1H-1,2,4-triazol-5-yl)ethoxy]piperidine

C12H20N4O — CID 55251328

IUPAC4-[2-(3-cyclopropyl-1H-1,2,4-triazol-5-yl)ethoxy]piperidine
SMILESC1CC(OCCc2nc(C3CC3)n[nH]2)CCN1
InChIInChI=1S/C12H20N4O/c1-2-9(1)12-14-11(15-16-12)5-8-17-10-3-6-13-7-4-10/h9-10,13H,1-8H2,(H,14,15,16)
InChIKeyREIPDJUDSKTYEU-UHFFFAOYSA-N
MW236.32 g/mol
LogP0.99
Rot. Bonds5

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

4-[2-(3-cyclopropyl-1H-1,2,4-triazol-5-yl)ethoxy]piperidine (PubChem CID 55251328) has the molecular formula C12H20N4O and a molecular weight of 236.32 g/mol. Its IUPAC name is 4-[2-(3-cyclopropyl-1H-1,2,4-triazol-5-yl)ethoxy]piperidine.

Molecular Properties

Compound Name4-[2-(3-cyclopropyl-1H-1,2,4-triazol-5-yl)ethoxy]piperidine
PubChem CID55251328
Molecular FormulaC12H20N4O
Molecular Weight236.32 g/mol
Exact Mass236.16
IUPAC Name4-[2-(3-cyclopropyl-1H-1,2,4-triazol-5-yl)ethoxy]piperidine
SMILESC1CC(OCCc2nc(C3CC3)n[nH]2)CCN1
InChIInChI=1S/C12H20N4O/c1-2-9(1)12-14-11(15-16-12)5-8-17-10-3-6-13-7-4-10/h9-10,13H,1-8H2,(H,14,15,16)
InChIKeyREIPDJUDSKTYEU-UHFFFAOYSA-N
XLogP0.99
TPSA62.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.32
LogP ≤ 50.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(3-cyclopropyl-1H-1,2,4-triazol-5-yl)ethoxy]piperidine?
The IUPAC name of 4-[2-(3-cyclopropyl-1H-1,2,4-triazol-5-yl)ethoxy]piperidine (CID 55251328) is 4-[2-(3-cyclopropyl-1H-1,2,4-triazol-5-yl)ethoxy]piperidine.
What is the SMILES notation for 4-[2-(3-cyclopropyl-1H-1,2,4-triazol-5-yl)ethoxy]piperidine?
The canonical SMILES for 4-[2-(3-cyclopropyl-1H-1,2,4-triazol-5-yl)ethoxy]piperidine is C1CC(OCCc2nc(C3CC3)n[nH]2)CCN1.
What is the InChIKey of 4-[2-(3-cyclopropyl-1H-1,2,4-triazol-5-yl)ethoxy]piperidine?
The InChIKey is REIPDJUDSKTYEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O/c1-2-9(1)12-14-11(15-16-12)5-8-17-10-3-6-13-7-4-10/h9-10,13H,1-8H2,(H,14,15,16).
What are the key properties of 4-[2-(3-cyclopropyl-1H-1,2,4-triazol-5-yl)ethoxy]piperidine?
4-[2-(3-cyclopropyl-1H-1,2,4-triazol-5-yl)ethoxy]piperidine has a molecular weight of 236.32 g/mol, XLogP of 0.99, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(3-cyclopropyl-1H-1,2,4-triazol-5-yl)ethoxy]piperidine is sourced from PubChem (CID 55251328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).