4-(oxiran-2-yl)-1-(5-propan-2-yl-1H-1,2,4-triazol-3-yl)piperidine

C12H20N4O — CID 163780408

IUPAC4-(oxiran-2-yl)-1-(5-propan-2-yl-1H-1,2,4-triazol-3-yl)piperidine
SMILESCC(C)c1nc(N2CCC(C3CO3)CC2)n[nH]1
InChIInChI=1S/C12H20N4O/c1-8(2)11-13-12(15-14-11)16-5-3-9(4-6-16)10-7-17-10/h8-10H,3-7H2,1-2H3,(H,13,14,15)
InChIKeyMOCHNJVSKBGMOH-UHFFFAOYSA-N
MW236.32 g/mol
LogP1.54
Rot. Bonds3

About 4-(oxiran-2-yl)-1-(5-propan-2-yl-1H-1,2,4-triazol-3-yl)piperidine

4-(oxiran-2-yl)-1-(5-propan-2-yl-1H-1,2,4-triazol-3-yl)piperidine (PubChem CID 163780408) has the molecular formula C12H20N4O and a molecular weight of 236.32 g/mol. Its IUPAC name is 4-(oxiran-2-yl)-1-(5-propan-2-yl-1H-1,2,4-triazol-3-yl)piperidine.

Molecular Properties

Compound Name4-(oxiran-2-yl)-1-(5-propan-2-yl-1H-1,2,4-triazol-3-yl)piperidine
PubChem CID163780408
Molecular FormulaC12H20N4O
Molecular Weight236.32 g/mol
Exact Mass236.16
IUPAC Name4-(oxiran-2-yl)-1-(5-propan-2-yl-1H-1,2,4-triazol-3-yl)piperidine
SMILESCC(C)c1nc(N2CCC(C3CO3)CC2)n[nH]1
InChIInChI=1S/C12H20N4O/c1-8(2)11-13-12(15-14-11)16-5-3-9(4-6-16)10-7-17-10/h8-10H,3-7H2,1-2H3,(H,13,14,15)
InChIKeyMOCHNJVSKBGMOH-UHFFFAOYSA-N
XLogP1.54
TPSA57.34 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.32
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(oxiran-2-yl)-1-(5-propan-2-yl-1H-1,2,4-triazol-3-yl)piperidine?
The IUPAC name of 4-(oxiran-2-yl)-1-(5-propan-2-yl-1H-1,2,4-triazol-3-yl)piperidine (CID 163780408) is 4-(oxiran-2-yl)-1-(5-propan-2-yl-1H-1,2,4-triazol-3-yl)piperidine.
What is the SMILES notation for 4-(oxiran-2-yl)-1-(5-propan-2-yl-1H-1,2,4-triazol-3-yl)piperidine?
The canonical SMILES for 4-(oxiran-2-yl)-1-(5-propan-2-yl-1H-1,2,4-triazol-3-yl)piperidine is CC(C)c1nc(N2CCC(C3CO3)CC2)n[nH]1.
What is the InChIKey of 4-(oxiran-2-yl)-1-(5-propan-2-yl-1H-1,2,4-triazol-3-yl)piperidine?
The InChIKey is MOCHNJVSKBGMOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O/c1-8(2)11-13-12(15-14-11)16-5-3-9(4-6-16)10-7-17-10/h8-10H,3-7H2,1-2H3,(H,13,14,15).
What are the key properties of 4-(oxiran-2-yl)-1-(5-propan-2-yl-1H-1,2,4-triazol-3-yl)piperidine?
4-(oxiran-2-yl)-1-(5-propan-2-yl-1H-1,2,4-triazol-3-yl)piperidine has a molecular weight of 236.32 g/mol, XLogP of 1.54, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(oxiran-2-yl)-1-(5-propan-2-yl-1H-1,2,4-triazol-3-yl)piperidine is sourced from PubChem (CID 163780408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).