2-methyl-N-[[1-(1,2,4-oxadiazol-3-ylmethyl)piperidin-2-yl]methyl]propan-1-amine

C13H24N4O — CID 55257415

IUPAC2-methyl-N-[[1-(1,2,4-oxadiazol-3-ylmethyl)piperidin-2-yl]methyl]propan-1-amine
SMILESCC(C)CNCC1CCCCN1Cc1ncon1
InChIInChI=1S/C13H24N4O/c1-11(2)7-14-8-12-5-3-4-6-17(12)9-13-15-10-18-16-13/h10-12,14H,3-9H2,1-2H3
InChIKeyXXDQHIAXNNCUOZ-UHFFFAOYSA-N
MW252.36 g/mol
LogP1.67
Rot. Bonds6

About 2-methyl-N-[[1-(1,2,4-oxadiazol-3-ylmethyl)piperidin-2-yl]methyl]propan-1-amine

2-methyl-N-[[1-(1,2,4-oxadiazol-3-ylmethyl)piperidin-2-yl]methyl]propan-1-amine (PubChem CID 55257415) has the molecular formula C13H24N4O and a molecular weight of 252.36 g/mol. Its IUPAC name is 2-methyl-N-[[1-(1,2,4-oxadiazol-3-ylmethyl)piperidin-2-yl]methyl]propan-1-amine.

Molecular Properties

Compound Name2-methyl-N-[[1-(1,2,4-oxadiazol-3-ylmethyl)piperidin-2-yl]methyl]propan-1-amine
PubChem CID55257415
Molecular FormulaC13H24N4O
Molecular Weight252.36 g/mol
Exact Mass252.20
IUPAC Name2-methyl-N-[[1-(1,2,4-oxadiazol-3-ylmethyl)piperidin-2-yl]methyl]propan-1-amine
SMILESCC(C)CNCC1CCCCN1Cc1ncon1
InChIInChI=1S/C13H24N4O/c1-11(2)7-14-8-12-5-3-4-6-17(12)9-13-15-10-18-16-13/h10-12,14H,3-9H2,1-2H3
InChIKeyXXDQHIAXNNCUOZ-UHFFFAOYSA-N
XLogP1.67
TPSA54.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.36
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[[1-(1,2,4-oxadiazol-3-ylmethyl)piperidin-2-yl]methyl]propan-1-amine?
The IUPAC name of 2-methyl-N-[[1-(1,2,4-oxadiazol-3-ylmethyl)piperidin-2-yl]methyl]propan-1-amine (CID 55257415) is 2-methyl-N-[[1-(1,2,4-oxadiazol-3-ylmethyl)piperidin-2-yl]methyl]propan-1-amine.
What is the SMILES notation for 2-methyl-N-[[1-(1,2,4-oxadiazol-3-ylmethyl)piperidin-2-yl]methyl]propan-1-amine?
The canonical SMILES for 2-methyl-N-[[1-(1,2,4-oxadiazol-3-ylmethyl)piperidin-2-yl]methyl]propan-1-amine is CC(C)CNCC1CCCCN1Cc1ncon1.
What is the InChIKey of 2-methyl-N-[[1-(1,2,4-oxadiazol-3-ylmethyl)piperidin-2-yl]methyl]propan-1-amine?
The InChIKey is XXDQHIAXNNCUOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4O/c1-11(2)7-14-8-12-5-3-4-6-17(12)9-13-15-10-18-16-13/h10-12,14H,3-9H2,1-2H3.
What are the key properties of 2-methyl-N-[[1-(1,2,4-oxadiazol-3-ylmethyl)piperidin-2-yl]methyl]propan-1-amine?
2-methyl-N-[[1-(1,2,4-oxadiazol-3-ylmethyl)piperidin-2-yl]methyl]propan-1-amine has a molecular weight of 252.36 g/mol, XLogP of 1.67, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[[1-(1,2,4-oxadiazol-3-ylmethyl)piperidin-2-yl]methyl]propan-1-amine is sourced from PubChem (CID 55257415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).