N,N-diethyl-5-(piperidin-4-ylmethyl)-1,2,4-oxadiazol-3-amine

C12H22N4O — CID 116806158

IUPACN,N-diethyl-5-(piperidin-4-ylmethyl)-1,2,4-oxadiazol-3-amine
SMILESCCN(CC)c1noc(CC2CCNCC2)n1
InChIInChI=1S/C12H22N4O/c1-3-16(4-2)12-14-11(17-15-12)9-10-5-7-13-8-6-10/h10,13H,3-9H2,1-2H3
InChIKeyPPDVDYOJKOVLIQ-UHFFFAOYSA-N
MW238.33 g/mol
LogP1.46
Rot. Bonds5

About N,N-diethyl-5-(piperidin-4-ylmethyl)-1,2,4-oxadiazol-3-amine

N,N-diethyl-5-(piperidin-4-ylmethyl)-1,2,4-oxadiazol-3-amine (PubChem CID 116806158) has the molecular formula C12H22N4O and a molecular weight of 238.33 g/mol. Its IUPAC name is N,N-diethyl-5-(piperidin-4-ylmethyl)-1,2,4-oxadiazol-3-amine.

Molecular Properties

Compound NameN,N-diethyl-5-(piperidin-4-ylmethyl)-1,2,4-oxadiazol-3-amine
PubChem CID116806158
Molecular FormulaC12H22N4O
Molecular Weight238.33 g/mol
Exact Mass238.18
IUPAC NameN,N-diethyl-5-(piperidin-4-ylmethyl)-1,2,4-oxadiazol-3-amine
SMILESCCN(CC)c1noc(CC2CCNCC2)n1
InChIInChI=1S/C12H22N4O/c1-3-16(4-2)12-14-11(17-15-12)9-10-5-7-13-8-6-10/h10,13H,3-9H2,1-2H3
InChIKeyPPDVDYOJKOVLIQ-UHFFFAOYSA-N
XLogP1.46
TPSA54.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-5-(piperidin-4-ylmethyl)-1,2,4-oxadiazol-3-amine?
The IUPAC name of N,N-diethyl-5-(piperidin-4-ylmethyl)-1,2,4-oxadiazol-3-amine (CID 116806158) is N,N-diethyl-5-(piperidin-4-ylmethyl)-1,2,4-oxadiazol-3-amine.
What is the SMILES notation for N,N-diethyl-5-(piperidin-4-ylmethyl)-1,2,4-oxadiazol-3-amine?
The canonical SMILES for N,N-diethyl-5-(piperidin-4-ylmethyl)-1,2,4-oxadiazol-3-amine is CCN(CC)c1noc(CC2CCNCC2)n1.
What is the InChIKey of N,N-diethyl-5-(piperidin-4-ylmethyl)-1,2,4-oxadiazol-3-amine?
The InChIKey is PPDVDYOJKOVLIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4O/c1-3-16(4-2)12-14-11(17-15-12)9-10-5-7-13-8-6-10/h10,13H,3-9H2,1-2H3.
What are the key properties of N,N-diethyl-5-(piperidin-4-ylmethyl)-1,2,4-oxadiazol-3-amine?
N,N-diethyl-5-(piperidin-4-ylmethyl)-1,2,4-oxadiazol-3-amine has a molecular weight of 238.33 g/mol, XLogP of 1.46, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-5-(piperidin-4-ylmethyl)-1,2,4-oxadiazol-3-amine is sourced from PubChem (CID 116806158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).