N-[[5-(4-propylpiperidin-1-yl)-1,3,4-oxadiazol-2-yl]methyl]ethanamine

C13H24N4O — CID 106960424

IUPACN-[[5-(4-propylpiperidin-1-yl)-1,3,4-oxadiazol-2-yl]methyl]ethanamine
SMILESCCCC1CCN(c2nnc(CNCC)o2)CC1
InChIInChI=1S/C13H24N4O/c1-3-5-11-6-8-17(9-7-11)13-16-15-12(18-13)10-14-4-2/h11,14H,3-10H2,1-2H3
InChIKeyHIPWQEYLXUOARR-UHFFFAOYSA-N
MW252.36 g/mol
LogP2.20
Rot. Bonds6

About N-[[5-(4-propylpiperidin-1-yl)-1,3,4-oxadiazol-2-yl]methyl]ethanamine

N-[[5-(4-propylpiperidin-1-yl)-1,3,4-oxadiazol-2-yl]methyl]ethanamine (PubChem CID 106960424) has the molecular formula C13H24N4O and a molecular weight of 252.36 g/mol. Its IUPAC name is N-[[5-(4-propylpiperidin-1-yl)-1,3,4-oxadiazol-2-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[5-(4-propylpiperidin-1-yl)-1,3,4-oxadiazol-2-yl]methyl]ethanamine
PubChem CID106960424
Molecular FormulaC13H24N4O
Molecular Weight252.36 g/mol
Exact Mass252.20
IUPAC NameN-[[5-(4-propylpiperidin-1-yl)-1,3,4-oxadiazol-2-yl]methyl]ethanamine
SMILESCCCC1CCN(c2nnc(CNCC)o2)CC1
InChIInChI=1S/C13H24N4O/c1-3-5-11-6-8-17(9-7-11)13-16-15-12(18-13)10-14-4-2/h11,14H,3-10H2,1-2H3
InChIKeyHIPWQEYLXUOARR-UHFFFAOYSA-N
XLogP2.20
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 ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[[5-(4-propylpiperidin-1-yl)-1,3,4-oxadiazol-2-yl]methyl]ethanamine?
The IUPAC name of N-[[5-(4-propylpiperidin-1-yl)-1,3,4-oxadiazol-2-yl]methyl]ethanamine (CID 106960424) is N-[[5-(4-propylpiperidin-1-yl)-1,3,4-oxadiazol-2-yl]methyl]ethanamine.
What is the SMILES notation for N-[[5-(4-propylpiperidin-1-yl)-1,3,4-oxadiazol-2-yl]methyl]ethanamine?
The canonical SMILES for N-[[5-(4-propylpiperidin-1-yl)-1,3,4-oxadiazol-2-yl]methyl]ethanamine is CCCC1CCN(c2nnc(CNCC)o2)CC1.
What is the InChIKey of N-[[5-(4-propylpiperidin-1-yl)-1,3,4-oxadiazol-2-yl]methyl]ethanamine?
The InChIKey is HIPWQEYLXUOARR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4O/c1-3-5-11-6-8-17(9-7-11)13-16-15-12(18-13)10-14-4-2/h11,14H,3-10H2,1-2H3.
What are the key properties of N-[[5-(4-propylpiperidin-1-yl)-1,3,4-oxadiazol-2-yl]methyl]ethanamine?
N-[[5-(4-propylpiperidin-1-yl)-1,3,4-oxadiazol-2-yl]methyl]ethanamine has a molecular weight of 252.36 g/mol, XLogP of 2.20, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(4-propylpiperidin-1-yl)-1,3,4-oxadiazol-2-yl]methyl]ethanamine is sourced from PubChem (CID 106960424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).