N,N-diethyl-2-[5-(piperidin-4-yloxymethyl)-1,2,4-oxadiazol-3-yl]ethanamine

C14H26N4O2 — CID 63871053

IUPACN,N-diethyl-2-[5-(piperidin-4-yloxymethyl)-1,2,4-oxadiazol-3-yl]ethanamine
SMILESCCN(CC)CCc1noc(COC2CCNCC2)n1
InChIInChI=1S/C14H26N4O2/c1-3-18(4-2)10-7-13-16-14(20-17-13)11-19-12-5-8-15-9-6-12/h12,15H,3-11H2,1-2H3
InChIKeyQYGUKIPTCGAHLH-UHFFFAOYSA-N
MW282.39 g/mol
LogP1.22
Rot. Bonds8

About N,N-diethyl-2-[5-(piperidin-4-yloxymethyl)-1,2,4-oxadiazol-3-yl]ethanamine

N,N-diethyl-2-[5-(piperidin-4-yloxymethyl)-1,2,4-oxadiazol-3-yl]ethanamine (PubChem CID 63871053) has the molecular formula C14H26N4O2 and a molecular weight of 282.39 g/mol. Its IUPAC name is N,N-diethyl-2-[5-(piperidin-4-yloxymethyl)-1,2,4-oxadiazol-3-yl]ethanamine.

Molecular Properties

Compound NameN,N-diethyl-2-[5-(piperidin-4-yloxymethyl)-1,2,4-oxadiazol-3-yl]ethanamine
PubChem CID63871053
Molecular FormulaC14H26N4O2
Molecular Weight282.39 g/mol
Exact Mass282.21
IUPAC NameN,N-diethyl-2-[5-(piperidin-4-yloxymethyl)-1,2,4-oxadiazol-3-yl]ethanamine
SMILESCCN(CC)CCc1noc(COC2CCNCC2)n1
InChIInChI=1S/C14H26N4O2/c1-3-18(4-2)10-7-13-16-14(20-17-13)11-19-12-5-8-15-9-6-12/h12,15H,3-11H2,1-2H3
InChIKeyQYGUKIPTCGAHLH-UHFFFAOYSA-N
XLogP1.22
TPSA63.42 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.39
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-2-[5-(piperidin-4-yloxymethyl)-1,2,4-oxadiazol-3-yl]ethanamine?
The IUPAC name of N,N-diethyl-2-[5-(piperidin-4-yloxymethyl)-1,2,4-oxadiazol-3-yl]ethanamine (CID 63871053) is N,N-diethyl-2-[5-(piperidin-4-yloxymethyl)-1,2,4-oxadiazol-3-yl]ethanamine.
What is the SMILES notation for N,N-diethyl-2-[5-(piperidin-4-yloxymethyl)-1,2,4-oxadiazol-3-yl]ethanamine?
The canonical SMILES for N,N-diethyl-2-[5-(piperidin-4-yloxymethyl)-1,2,4-oxadiazol-3-yl]ethanamine is CCN(CC)CCc1noc(COC2CCNCC2)n1.
What is the InChIKey of N,N-diethyl-2-[5-(piperidin-4-yloxymethyl)-1,2,4-oxadiazol-3-yl]ethanamine?
The InChIKey is QYGUKIPTCGAHLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N4O2/c1-3-18(4-2)10-7-13-16-14(20-17-13)11-19-12-5-8-15-9-6-12/h12,15H,3-11H2,1-2H3.
What are the key properties of N,N-diethyl-2-[5-(piperidin-4-yloxymethyl)-1,2,4-oxadiazol-3-yl]ethanamine?
N,N-diethyl-2-[5-(piperidin-4-yloxymethyl)-1,2,4-oxadiazol-3-yl]ethanamine has a molecular weight of 282.39 g/mol, XLogP of 1.22, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-2-[5-(piperidin-4-yloxymethyl)-1,2,4-oxadiazol-3-yl]ethanamine is sourced from PubChem (CID 63871053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).