1-[[4-(oxetan-2-ylmethyl)-1,2,4-triazol-3-yl]methyl]piperidine

C12H20N4O — CID 175432717

IUPAC1-[[4-(oxetan-2-ylmethyl)-1,2,4-triazol-3-yl]methyl]piperidine
SMILESc1nnc(CN2CCCCC2)n1CC1CCO1
InChIInChI=1S/C12H20N4O/c1-2-5-15(6-3-1)9-12-14-13-10-16(12)8-11-4-7-17-11/h10-11H,1-9H2
InChIKeyGJPCJNDALZLKDT-UHFFFAOYSA-N
MW236.32 g/mol
LogP1.05
Rot. Bonds4

About 1-[[4-(oxetan-2-ylmethyl)-1,2,4-triazol-3-yl]methyl]piperidine

1-[[4-(oxetan-2-ylmethyl)-1,2,4-triazol-3-yl]methyl]piperidine (PubChem CID 175432717) has the molecular formula C12H20N4O and a molecular weight of 236.32 g/mol. Its IUPAC name is 1-[[4-(oxetan-2-ylmethyl)-1,2,4-triazol-3-yl]methyl]piperidine.

Molecular Properties

Compound Name1-[[4-(oxetan-2-ylmethyl)-1,2,4-triazol-3-yl]methyl]piperidine
PubChem CID175432717
Molecular FormulaC12H20N4O
Molecular Weight236.32 g/mol
Exact Mass236.16
IUPAC Name1-[[4-(oxetan-2-ylmethyl)-1,2,4-triazol-3-yl]methyl]piperidine
SMILESc1nnc(CN2CCCCC2)n1CC1CCO1
InChIInChI=1S/C12H20N4O/c1-2-5-15(6-3-1)9-12-14-13-10-16(12)8-11-4-7-17-11/h10-11H,1-9H2
InChIKeyGJPCJNDALZLKDT-UHFFFAOYSA-N
XLogP1.05
TPSA43.18 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.32
LogP ≤ 51.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[[4-(oxetan-2-ylmethyl)-1,2,4-triazol-3-yl]methyl]piperidine?
The IUPAC name of 1-[[4-(oxetan-2-ylmethyl)-1,2,4-triazol-3-yl]methyl]piperidine (CID 175432717) is 1-[[4-(oxetan-2-ylmethyl)-1,2,4-triazol-3-yl]methyl]piperidine.
What is the SMILES notation for 1-[[4-(oxetan-2-ylmethyl)-1,2,4-triazol-3-yl]methyl]piperidine?
The canonical SMILES for 1-[[4-(oxetan-2-ylmethyl)-1,2,4-triazol-3-yl]methyl]piperidine is c1nnc(CN2CCCCC2)n1CC1CCO1.
What is the InChIKey of 1-[[4-(oxetan-2-ylmethyl)-1,2,4-triazol-3-yl]methyl]piperidine?
The InChIKey is GJPCJNDALZLKDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O/c1-2-5-15(6-3-1)9-12-14-13-10-16(12)8-11-4-7-17-11/h10-11H,1-9H2.
What are the key properties of 1-[[4-(oxetan-2-ylmethyl)-1,2,4-triazol-3-yl]methyl]piperidine?
1-[[4-(oxetan-2-ylmethyl)-1,2,4-triazol-3-yl]methyl]piperidine has a molecular weight of 236.32 g/mol, XLogP of 1.05, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[4-(oxetan-2-ylmethyl)-1,2,4-triazol-3-yl]methyl]piperidine is sourced from PubChem (CID 175432717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).