3-[(4-methylpiperidin-3-yl)oxymethyl]-1,2,5-thiadiazole

C9H15N3OS — CID 130942600

IUPAC3-[(4-methylpiperidin-3-yl)oxymethyl]-1,2,5-thiadiazole
SMILESCC1CCNCC1OCc1cnsn1
InChIInChI=1S/C9H15N3OS/c1-7-2-3-10-5-9(7)13-6-8-4-11-14-12-8/h4,7,9-10H,2-3,5-6H2,1H3
InChIKeyHVYQTILZMVNLGC-UHFFFAOYSA-N
MW213.31 g/mol
LogP1.05
Rot. Bonds3

About 3-[(4-methylpiperidin-3-yl)oxymethyl]-1,2,5-thiadiazole

3-[(4-methylpiperidin-3-yl)oxymethyl]-1,2,5-thiadiazole (PubChem CID 130942600) has the molecular formula C9H15N3OS and a molecular weight of 213.31 g/mol. Its IUPAC name is 3-[(4-methylpiperidin-3-yl)oxymethyl]-1,2,5-thiadiazole.

Molecular Properties

Compound Name3-[(4-methylpiperidin-3-yl)oxymethyl]-1,2,5-thiadiazole
PubChem CID130942600
Molecular FormulaC9H15N3OS
Molecular Weight213.31 g/mol
Exact Mass213.09
IUPAC Name3-[(4-methylpiperidin-3-yl)oxymethyl]-1,2,5-thiadiazole
SMILESCC1CCNCC1OCc1cnsn1
InChIInChI=1S/C9H15N3OS/c1-7-2-3-10-5-9(7)13-6-8-4-11-14-12-8/h4,7,9-10H,2-3,5-6H2,1H3
InChIKeyHVYQTILZMVNLGC-UHFFFAOYSA-N
XLogP1.05
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.31
LogP ≤ 51.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-[(4-methylpiperidin-3-yl)oxymethyl]pyridine
CID 102954056
3-methyl-5-[(4-methylpiperidin-3-yl)oxymethyl]pyridine
CID 102954306
4-methyl-3-phenylmethoxypiperidine
CID 102954119
4-methyl-3-(thiophen-2-ylmethoxy)piperidine
CID 102954007
3-[(1-butan-2-ylpyrazol-3-yl)methoxy]-4-methylpiperidine
CID 102954086
4-methyl-3-[(4-methyl-1,2,4-triazol-3-yl)methoxy]piperidine
CID 106939218
4-methyl-3-[[4-(trifluoromethoxy)phenyl]methoxy]piperidine
CID 102954321
2-methyl-5-[(4-methylpiperidin-3-yl)oxymethyl]-1,3,4-oxadiazole
CID 102954373
3-[(3-bromo-2,6-difluorophenyl)methoxy]-4-methylpiperidine
CID 106264583
1-pyrrolidin-3-yl-2-(1,2,5-thiadiazol-3-yl)ethanol
CID 164650172
3-cyclopropyl-5-[(4-methylpiperidin-3-yl)oxymethyl]-1,2,4-oxadiazole
CID 102954079
3-[(E)-3-chloroprop-2-enoxy]-4-methylpiperidine
CID 102954054

Frequently Asked Questions

What is the IUPAC name of 3-[(4-methylpiperidin-3-yl)oxymethyl]-1,2,5-thiadiazole?
The IUPAC name of 3-[(4-methylpiperidin-3-yl)oxymethyl]-1,2,5-thiadiazole (CID 130942600) is 3-[(4-methylpiperidin-3-yl)oxymethyl]-1,2,5-thiadiazole.
What is the SMILES notation for 3-[(4-methylpiperidin-3-yl)oxymethyl]-1,2,5-thiadiazole?
The canonical SMILES for 3-[(4-methylpiperidin-3-yl)oxymethyl]-1,2,5-thiadiazole is CC1CCNCC1OCc1cnsn1.
What is the InChIKey of 3-[(4-methylpiperidin-3-yl)oxymethyl]-1,2,5-thiadiazole?
The InChIKey is HVYQTILZMVNLGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3OS/c1-7-2-3-10-5-9(7)13-6-8-4-11-14-12-8/h4,7,9-10H,2-3,5-6H2,1H3.
What are the key properties of 3-[(4-methylpiperidin-3-yl)oxymethyl]-1,2,5-thiadiazole?
3-[(4-methylpiperidin-3-yl)oxymethyl]-1,2,5-thiadiazole has a molecular weight of 213.31 g/mol, XLogP of 1.05, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-methylpiperidin-3-yl)oxymethyl]-1,2,5-thiadiazole is sourced from PubChem (CID 130942600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).