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

C14H26N4O — CID 63123708

IUPACN,N-diethyl-2-[5-(4-methylpiperidin-4-yl)-1,2,4-oxadiazol-3-yl]ethanamine
SMILESCCN(CC)CCc1noc(C2(C)CCNCC2)n1
InChIInChI=1S/C14H26N4O/c1-4-18(5-2)11-6-12-16-13(19-17-12)14(3)7-9-15-10-8-14/h15H,4-11H2,1-3H3
InChIKeyHLNSEFXGRQRRIA-UHFFFAOYSA-N
MW266.39 g/mol
LogP1.60
Rot. Bonds6

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

N,N-diethyl-2-[5-(4-methylpiperidin-4-yl)-1,2,4-oxadiazol-3-yl]ethanamine (PubChem CID 63123708) has the molecular formula C14H26N4O and a molecular weight of 266.39 g/mol. Its IUPAC name is N,N-diethyl-2-[5-(4-methylpiperidin-4-yl)-1,2,4-oxadiazol-3-yl]ethanamine.

Molecular Properties

Compound NameN,N-diethyl-2-[5-(4-methylpiperidin-4-yl)-1,2,4-oxadiazol-3-yl]ethanamine
PubChem CID63123708
Molecular FormulaC14H26N4O
Molecular Weight266.39 g/mol
Exact Mass266.21
IUPAC NameN,N-diethyl-2-[5-(4-methylpiperidin-4-yl)-1,2,4-oxadiazol-3-yl]ethanamine
SMILESCCN(CC)CCc1noc(C2(C)CCNCC2)n1
InChIInChI=1S/C14H26N4O/c1-4-18(5-2)11-6-12-16-13(19-17-12)14(3)7-9-15-10-8-14/h15H,4-11H2,1-3H3
InChIKeyHLNSEFXGRQRRIA-UHFFFAOYSA-N
XLogP1.60
TPSA54.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.39
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-2-[5-(4-methylpiperidin-4-yl)-1,2,4-oxadiazol-3-yl]ethanamine?
The IUPAC name of N,N-diethyl-2-[5-(4-methylpiperidin-4-yl)-1,2,4-oxadiazol-3-yl]ethanamine (CID 63123708) is N,N-diethyl-2-[5-(4-methylpiperidin-4-yl)-1,2,4-oxadiazol-3-yl]ethanamine.
What is the SMILES notation for N,N-diethyl-2-[5-(4-methylpiperidin-4-yl)-1,2,4-oxadiazol-3-yl]ethanamine?
The canonical SMILES for N,N-diethyl-2-[5-(4-methylpiperidin-4-yl)-1,2,4-oxadiazol-3-yl]ethanamine is CCN(CC)CCc1noc(C2(C)CCNCC2)n1.
What is the InChIKey of N,N-diethyl-2-[5-(4-methylpiperidin-4-yl)-1,2,4-oxadiazol-3-yl]ethanamine?
The InChIKey is HLNSEFXGRQRRIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N4O/c1-4-18(5-2)11-6-12-16-13(19-17-12)14(3)7-9-15-10-8-14/h15H,4-11H2,1-3H3.
What are the key properties of N,N-diethyl-2-[5-(4-methylpiperidin-4-yl)-1,2,4-oxadiazol-3-yl]ethanamine?
N,N-diethyl-2-[5-(4-methylpiperidin-4-yl)-1,2,4-oxadiazol-3-yl]ethanamine has a molecular weight of 266.39 g/mol, XLogP of 1.60, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-2-[5-(4-methylpiperidin-4-yl)-1,2,4-oxadiazol-3-yl]ethanamine is sourced from PubChem (CID 63123708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).