4-(4-methyl-1,2,4-triazol-3-yl)-1-(oxan-3-ylmethyl)piperidine

C14H24N4O — CID 91832863

IUPAC4-(4-methyl-1,2,4-triazol-3-yl)-1-(oxan-3-ylmethyl)piperidine
SMILESCn1cnnc1C1CCN(CC2CCCOC2)CC1
InChIInChI=1S/C14H24N4O/c1-17-11-15-16-14(17)13-4-6-18(7-5-13)9-12-3-2-8-19-10-12/h11-13H,2-10H2,1H3
InChIKeyZFXUVALOFJFEEO-UHFFFAOYSA-N
MW264.37 g/mol
LogP1.42
Rot. Bonds3

About 4-(4-methyl-1,2,4-triazol-3-yl)-1-(oxan-3-ylmethyl)piperidine

4-(4-methyl-1,2,4-triazol-3-yl)-1-(oxan-3-ylmethyl)piperidine (PubChem CID 91832863) has the molecular formula C14H24N4O and a molecular weight of 264.37 g/mol. Its IUPAC name is 4-(4-methyl-1,2,4-triazol-3-yl)-1-(oxan-3-ylmethyl)piperidine.

Molecular Properties

Compound Name4-(4-methyl-1,2,4-triazol-3-yl)-1-(oxan-3-ylmethyl)piperidine
PubChem CID91832863
Molecular FormulaC14H24N4O
Molecular Weight264.37 g/mol
Exact Mass264.20
IUPAC Name4-(4-methyl-1,2,4-triazol-3-yl)-1-(oxan-3-ylmethyl)piperidine
SMILESCn1cnnc1C1CCN(CC2CCCOC2)CC1
InChIInChI=1S/C14H24N4O/c1-17-11-15-16-14(17)13-4-6-18(7-5-13)9-12-3-2-8-19-10-12/h11-13H,2-10H2,1H3
InChIKeyZFXUVALOFJFEEO-UHFFFAOYSA-N
XLogP1.42
TPSA43.18 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 51.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(4-methyl-1,2,4-triazol-3-yl)-1-(oxan-3-ylmethyl)piperidine?
The IUPAC name of 4-(4-methyl-1,2,4-triazol-3-yl)-1-(oxan-3-ylmethyl)piperidine (CID 91832863) is 4-(4-methyl-1,2,4-triazol-3-yl)-1-(oxan-3-ylmethyl)piperidine.
What is the SMILES notation for 4-(4-methyl-1,2,4-triazol-3-yl)-1-(oxan-3-ylmethyl)piperidine?
The canonical SMILES for 4-(4-methyl-1,2,4-triazol-3-yl)-1-(oxan-3-ylmethyl)piperidine is Cn1cnnc1C1CCN(CC2CCCOC2)CC1.
What is the InChIKey of 4-(4-methyl-1,2,4-triazol-3-yl)-1-(oxan-3-ylmethyl)piperidine?
The InChIKey is ZFXUVALOFJFEEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4O/c1-17-11-15-16-14(17)13-4-6-18(7-5-13)9-12-3-2-8-19-10-12/h11-13H,2-10H2,1H3.
What are the key properties of 4-(4-methyl-1,2,4-triazol-3-yl)-1-(oxan-3-ylmethyl)piperidine?
4-(4-methyl-1,2,4-triazol-3-yl)-1-(oxan-3-ylmethyl)piperidine has a molecular weight of 264.37 g/mol, XLogP of 1.42, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methyl-1,2,4-triazol-3-yl)-1-(oxan-3-ylmethyl)piperidine is sourced from PubChem (CID 91832863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).