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

C9H16N4O — CID 83284476

IUPAC4-[3-(methoxymethyl)-1,2,4-triazol-4-yl]piperidine
SMILESCOCc1nncn1C1CCNCC1
InChIInChI=1S/C9H16N4O/c1-14-6-9-12-11-7-13(9)8-2-4-10-5-3-8/h7-8,10H,2-6H2,1H3
InChIKeyYWDGINCZPQUKLH-UHFFFAOYSA-N
MW196.25 g/mol
LogP0.35
Rot. Bonds3

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

4-[3-(methoxymethyl)-1,2,4-triazol-4-yl]piperidine (PubChem CID 83284476) has the molecular formula C9H16N4O and a molecular weight of 196.25 g/mol. Its IUPAC name is 4-[3-(methoxymethyl)-1,2,4-triazol-4-yl]piperidine.

Molecular Properties

Compound Name4-[3-(methoxymethyl)-1,2,4-triazol-4-yl]piperidine
PubChem CID83284476
Molecular FormulaC9H16N4O
Molecular Weight196.25 g/mol
Exact Mass196.13
IUPAC Name4-[3-(methoxymethyl)-1,2,4-triazol-4-yl]piperidine
SMILESCOCc1nncn1C1CCNCC1
InChIInChI=1S/C9H16N4O/c1-14-6-9-12-11-7-13(9)8-2-4-10-5-3-8/h7-8,10H,2-6H2,1H3
InChIKeyYWDGINCZPQUKLH-UHFFFAOYSA-N
XLogP0.35
TPSA51.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.25
LogP ≤ 50.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[3-(methoxymethyl)-1,2,4-triazol-4-yl]piperidine?
The IUPAC name of 4-[3-(methoxymethyl)-1,2,4-triazol-4-yl]piperidine (CID 83284476) is 4-[3-(methoxymethyl)-1,2,4-triazol-4-yl]piperidine.
What is the SMILES notation for 4-[3-(methoxymethyl)-1,2,4-triazol-4-yl]piperidine?
The canonical SMILES for 4-[3-(methoxymethyl)-1,2,4-triazol-4-yl]piperidine is COCc1nncn1C1CCNCC1.
What is the InChIKey of 4-[3-(methoxymethyl)-1,2,4-triazol-4-yl]piperidine?
The InChIKey is YWDGINCZPQUKLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N4O/c1-14-6-9-12-11-7-13(9)8-2-4-10-5-3-8/h7-8,10H,2-6H2,1H3.
What are the key properties of 4-[3-(methoxymethyl)-1,2,4-triazol-4-yl]piperidine?
4-[3-(methoxymethyl)-1,2,4-triazol-4-yl]piperidine has a molecular weight of 196.25 g/mol, XLogP of 0.35, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(methoxymethyl)-1,2,4-triazol-4-yl]piperidine is sourced from PubChem (CID 83284476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).