N-methyl-1-(5-piperidin-1-yl-1,3,4-oxadiazol-2-yl)methanamine

C9H16N4O — CID 82469221

IUPACN-methyl-1-(5-piperidin-1-yl-1,3,4-oxadiazol-2-yl)methanamine
SMILESCNCc1nnc(N2CCCCC2)o1
InChIInChI=1S/C9H16N4O/c1-10-7-8-11-12-9(14-8)13-5-3-2-4-6-13/h10H,2-7H2,1H3
InChIKeyAPGPBVUGFOTXBJ-UHFFFAOYSA-N
MW196.25 g/mol
LogP0.78
Rot. Bonds3

About N-methyl-1-(5-piperidin-1-yl-1,3,4-oxadiazol-2-yl)methanamine

N-methyl-1-(5-piperidin-1-yl-1,3,4-oxadiazol-2-yl)methanamine (PubChem CID 82469221) has the molecular formula C9H16N4O and a molecular weight of 196.25 g/mol. Its IUPAC name is N-methyl-1-(5-piperidin-1-yl-1,3,4-oxadiazol-2-yl)methanamine.

Molecular Properties

Compound NameN-methyl-1-(5-piperidin-1-yl-1,3,4-oxadiazol-2-yl)methanamine
PubChem CID82469221
Molecular FormulaC9H16N4O
Molecular Weight196.25 g/mol
Exact Mass196.13
IUPAC NameN-methyl-1-(5-piperidin-1-yl-1,3,4-oxadiazol-2-yl)methanamine
SMILESCNCc1nnc(N2CCCCC2)o1
InChIInChI=1S/C9H16N4O/c1-10-7-8-11-12-9(14-8)13-5-3-2-4-6-13/h10H,2-7H2,1H3
InChIKeyAPGPBVUGFOTXBJ-UHFFFAOYSA-N
XLogP0.78
TPSA54.19 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 ≤ 50.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(5-piperidin-1-yl-1,3,4-oxadiazol-2-yl)methanamine?
The IUPAC name of N-methyl-1-(5-piperidin-1-yl-1,3,4-oxadiazol-2-yl)methanamine (CID 82469221) is N-methyl-1-(5-piperidin-1-yl-1,3,4-oxadiazol-2-yl)methanamine.
What is the SMILES notation for N-methyl-1-(5-piperidin-1-yl-1,3,4-oxadiazol-2-yl)methanamine?
The canonical SMILES for N-methyl-1-(5-piperidin-1-yl-1,3,4-oxadiazol-2-yl)methanamine is CNCc1nnc(N2CCCCC2)o1.
What is the InChIKey of N-methyl-1-(5-piperidin-1-yl-1,3,4-oxadiazol-2-yl)methanamine?
The InChIKey is APGPBVUGFOTXBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N4O/c1-10-7-8-11-12-9(14-8)13-5-3-2-4-6-13/h10H,2-7H2,1H3.
What are the key properties of N-methyl-1-(5-piperidin-1-yl-1,3,4-oxadiazol-2-yl)methanamine?
N-methyl-1-(5-piperidin-1-yl-1,3,4-oxadiazol-2-yl)methanamine has a molecular weight of 196.25 g/mol, XLogP of 0.78, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(5-piperidin-1-yl-1,3,4-oxadiazol-2-yl)methanamine is sourced from PubChem (CID 82469221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).