2-[[3-(fluoromethyl)piperidin-1-yl]methyl]-5-methyl-1,3,4-oxadiazole

C10H16FN3O — CID 155941669

IUPAC2-[[3-(fluoromethyl)piperidin-1-yl]methyl]-5-methyl-1,3,4-oxadiazole
SMILESCc1nnc(CN2CCCC(CF)C2)o1
InChIInChI=1S/C10H16FN3O/c1-8-12-13-10(15-8)7-14-4-2-3-9(5-11)6-14/h9H,2-7H2,1H3
InChIKeyYRUPIOHYPWPIMR-UHFFFAOYSA-N
MW213.26 g/mol
LogP1.56
Rot. Bonds3

About 2-[[3-(fluoromethyl)piperidin-1-yl]methyl]-5-methyl-1,3,4-oxadiazole

2-[[3-(fluoromethyl)piperidin-1-yl]methyl]-5-methyl-1,3,4-oxadiazole (PubChem CID 155941669) has the molecular formula C10H16FN3O and a molecular weight of 213.26 g/mol. Its IUPAC name is 2-[[3-(fluoromethyl)piperidin-1-yl]methyl]-5-methyl-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-[[3-(fluoromethyl)piperidin-1-yl]methyl]-5-methyl-1,3,4-oxadiazole
PubChem CID155941669
Molecular FormulaC10H16FN3O
Molecular Weight213.26 g/mol
Exact Mass213.13
IUPAC Name2-[[3-(fluoromethyl)piperidin-1-yl]methyl]-5-methyl-1,3,4-oxadiazole
SMILESCc1nnc(CN2CCCC(CF)C2)o1
InChIInChI=1S/C10H16FN3O/c1-8-12-13-10(15-8)7-14-4-2-3-9(5-11)6-14/h9H,2-7H2,1H3
InChIKeyYRUPIOHYPWPIMR-UHFFFAOYSA-N
XLogP1.56
TPSA42.16 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.26
LogP ≤ 51.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[[3-(fluoromethyl)piperidin-1-yl]methyl]-5-methyl-1,3,4-oxadiazole?
The IUPAC name of 2-[[3-(fluoromethyl)piperidin-1-yl]methyl]-5-methyl-1,3,4-oxadiazole (CID 155941669) is 2-[[3-(fluoromethyl)piperidin-1-yl]methyl]-5-methyl-1,3,4-oxadiazole.
What is the SMILES notation for 2-[[3-(fluoromethyl)piperidin-1-yl]methyl]-5-methyl-1,3,4-oxadiazole?
The canonical SMILES for 2-[[3-(fluoromethyl)piperidin-1-yl]methyl]-5-methyl-1,3,4-oxadiazole is Cc1nnc(CN2CCCC(CF)C2)o1.
What is the InChIKey of 2-[[3-(fluoromethyl)piperidin-1-yl]methyl]-5-methyl-1,3,4-oxadiazole?
The InChIKey is YRUPIOHYPWPIMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16FN3O/c1-8-12-13-10(15-8)7-14-4-2-3-9(5-11)6-14/h9H,2-7H2,1H3.
What are the key properties of 2-[[3-(fluoromethyl)piperidin-1-yl]methyl]-5-methyl-1,3,4-oxadiazole?
2-[[3-(fluoromethyl)piperidin-1-yl]methyl]-5-methyl-1,3,4-oxadiazole has a molecular weight of 213.26 g/mol, XLogP of 1.56, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-(fluoromethyl)piperidin-1-yl]methyl]-5-methyl-1,3,4-oxadiazole is sourced from PubChem (CID 155941669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).