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

C9H16N4O — CID 82463437

IUPAC4-[5-(methoxymethyl)-1H-1,2,4-triazol-3-yl]piperidine
SMILESCOCc1nc(C2CCNCC2)n[nH]1
InChIInChI=1S/C9H16N4O/c1-14-6-8-11-9(13-12-8)7-2-4-10-5-3-7/h7,10H,2-6H2,1H3,(H,11,12,13)
InChIKeyLBIYSJVIZIXJMS-UHFFFAOYSA-N
MW196.25 g/mol
LogP0.42
Rot. Bonds3

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

4-[5-(methoxymethyl)-1H-1,2,4-triazol-3-yl]piperidine (PubChem CID 82463437) has the molecular formula C9H16N4O and a molecular weight of 196.25 g/mol. Its IUPAC name is 4-[5-(methoxymethyl)-1H-1,2,4-triazol-3-yl]piperidine.

Molecular Properties

Compound Name4-[5-(methoxymethyl)-1H-1,2,4-triazol-3-yl]piperidine
PubChem CID82463437
Molecular FormulaC9H16N4O
Molecular Weight196.25 g/mol
Exact Mass196.13
IUPAC Name4-[5-(methoxymethyl)-1H-1,2,4-triazol-3-yl]piperidine
SMILESCOCc1nc(C2CCNCC2)n[nH]1
InChIInChI=1S/C9H16N4O/c1-14-6-8-11-9(13-12-8)7-2-4-10-5-3-7/h7,10H,2-6H2,1H3,(H,11,12,13)
InChIKeyLBIYSJVIZIXJMS-UHFFFAOYSA-N
XLogP0.42
TPSA62.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.25
LogP ≤ 50.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-cyclohexyl-5-(methoxymethyl)-1H-1,2,4-triazole
CID 61337738
4-[5-[(4-ethoxyphenoxy)methyl]-1H-1,2,4-triazol-3-yl]piperidine
CID 131927834
4-[2-(3-cyclopropyl-1H-1,2,4-triazol-5-yl)ethoxy]piperidine
CID 55251328
2-[5-(methoxymethyl)-1H-1,2,4-triazol-3-yl]piperidine;hydrochloride
CID 119032101
4-[5-[(4-tert-butylphenyl)methyl]-1H-1,2,4-triazol-3-yl]piperidine
CID 82568364
4-[(3-cyclohexyl-1H-1,2,4-triazol-5-yl)methyl]piperidine
CID 79606608
4-[5-(methoxymethyl)-1H-pyrazol-3-yl]piperidine
CID 90920394
4-[(3-cyclopropyl-1H-1,2,4-triazol-5-yl)methyl]azepane
CID 84686106
3-cyclopentyl-5-[(2-methylpropan-2-yl)oxymethyl]-1H-1,2,4-triazole
CID 112602957
3-cyclohexyl-5-(propan-2-yloxymethyl)-1H-1,2,4-triazole
CID 112602960
4-[5-[[4-(trifluoromethyl)phenyl]methyl]-1H-1,2,4-triazol-3-yl]piperidine
CID 82568363
2-(methoxymethyl)-4-piperidin-4-yl-1,3-thiazole
CID 82276880

Frequently Asked Questions

What is the IUPAC name of 4-[5-(methoxymethyl)-1H-1,2,4-triazol-3-yl]piperidine?
The IUPAC name of 4-[5-(methoxymethyl)-1H-1,2,4-triazol-3-yl]piperidine (CID 82463437) is 4-[5-(methoxymethyl)-1H-1,2,4-triazol-3-yl]piperidine.
What is the SMILES notation for 4-[5-(methoxymethyl)-1H-1,2,4-triazol-3-yl]piperidine?
The canonical SMILES for 4-[5-(methoxymethyl)-1H-1,2,4-triazol-3-yl]piperidine is COCc1nc(C2CCNCC2)n[nH]1.
What is the InChIKey of 4-[5-(methoxymethyl)-1H-1,2,4-triazol-3-yl]piperidine?
The InChIKey is LBIYSJVIZIXJMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N4O/c1-14-6-8-11-9(13-12-8)7-2-4-10-5-3-7/h7,10H,2-6H2,1H3,(H,11,12,13).
What are the key properties of 4-[5-(methoxymethyl)-1H-1,2,4-triazol-3-yl]piperidine?
4-[5-(methoxymethyl)-1H-1,2,4-triazol-3-yl]piperidine has a molecular weight of 196.25 g/mol, XLogP of 0.42, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(methoxymethyl)-1H-1,2,4-triazol-3-yl]piperidine is sourced from PubChem (CID 82463437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).