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

C12H22N4O — CID 106968736

IUPACN-[[5-(2-ethylpiperidin-1-yl)-1,3,4-oxadiazol-2-yl]methyl]ethanamine
SMILESCCNCc1nnc(N2CCCCC2CC)o1
InChIInChI=1S/C12H22N4O/c1-3-10-7-5-6-8-16(10)12-15-14-11(17-12)9-13-4-2/h10,13H,3-9H2,1-2H3
InChIKeyBDYUSSNEHYNXCA-UHFFFAOYSA-N
MW238.33 g/mol
LogP1.95
Rot. Bonds5

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

N-[[5-(2-ethylpiperidin-1-yl)-1,3,4-oxadiazol-2-yl]methyl]ethanamine (PubChem CID 106968736) has the molecular formula C12H22N4O and a molecular weight of 238.33 g/mol. Its IUPAC name is N-[[5-(2-ethylpiperidin-1-yl)-1,3,4-oxadiazol-2-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[5-(2-ethylpiperidin-1-yl)-1,3,4-oxadiazol-2-yl]methyl]ethanamine
PubChem CID106968736
Molecular FormulaC12H22N4O
Molecular Weight238.33 g/mol
Exact Mass238.18
IUPAC NameN-[[5-(2-ethylpiperidin-1-yl)-1,3,4-oxadiazol-2-yl]methyl]ethanamine
SMILESCCNCc1nnc(N2CCCCC2CC)o1
InChIInChI=1S/C12H22N4O/c1-3-10-7-5-6-8-16(10)12-15-14-11(17-12)9-13-4-2/h10,13H,3-9H2,1-2H3
InChIKeyBDYUSSNEHYNXCA-UHFFFAOYSA-N
XLogP1.95
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 ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[5-(2-methylpyrrolidin-1-yl)-1,3,4-oxadiazol-2-yl]methyl]ethanamine
CID 106969669
N-[[5-(4-methylpiperidin-1-yl)-1,3,4-oxadiazol-2-yl]methyl]ethanamine
CID 106967471
[1-[5-(ethylaminomethyl)-1,3,4-oxadiazol-2-yl]piperidin-4-yl]methanol
CID 106968380
2-(chloromethyl)-5-(2-propylpiperidin-1-yl)-1,3,4-oxadiazole
CID 106958331
1-[5-(ethylaminomethyl)-1,3,4-oxadiazol-2-yl]pyrrolidin-3-ol
CID 106960694
2-(1-chloroethyl)-5-(2-ethylazepan-1-yl)-1,3,4-oxadiazole
CID 106958564
N-[[5-(4-propylpiperidin-1-yl)-1,3,4-oxadiazol-2-yl]methyl]ethanamine
CID 106960424
N-[[5-(2-methyl-1,4-oxazepan-4-yl)-1,3,4-oxadiazol-2-yl]methyl]ethanamine
CID 106961124
1-[5-(3-ethylmorpholin-4-yl)-1,3,4-oxadiazol-2-yl]-N-methylmethanamine
CID 106969411
N-[[5-[4-(trifluoromethyl)piperidin-1-yl]-1,3,4-oxadiazol-2-yl]methyl]ethanamine
CID 106962492
N-[[5-(2-ethylpiperidin-1-yl)pyrazin-2-yl]methyl]ethanamine
CID 107379083
N-[(5-cycloheptyl-1,3,4-oxadiazol-2-yl)methyl]ethanamine
CID 62588537

Frequently Asked Questions

What is the IUPAC name of N-[[5-(2-ethylpiperidin-1-yl)-1,3,4-oxadiazol-2-yl]methyl]ethanamine?
The IUPAC name of N-[[5-(2-ethylpiperidin-1-yl)-1,3,4-oxadiazol-2-yl]methyl]ethanamine (CID 106968736) is N-[[5-(2-ethylpiperidin-1-yl)-1,3,4-oxadiazol-2-yl]methyl]ethanamine.
What is the SMILES notation for N-[[5-(2-ethylpiperidin-1-yl)-1,3,4-oxadiazol-2-yl]methyl]ethanamine?
The canonical SMILES for N-[[5-(2-ethylpiperidin-1-yl)-1,3,4-oxadiazol-2-yl]methyl]ethanamine is CCNCc1nnc(N2CCCCC2CC)o1.
What is the InChIKey of N-[[5-(2-ethylpiperidin-1-yl)-1,3,4-oxadiazol-2-yl]methyl]ethanamine?
The InChIKey is BDYUSSNEHYNXCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4O/c1-3-10-7-5-6-8-16(10)12-15-14-11(17-12)9-13-4-2/h10,13H,3-9H2,1-2H3.
What are the key properties of N-[[5-(2-ethylpiperidin-1-yl)-1,3,4-oxadiazol-2-yl]methyl]ethanamine?
N-[[5-(2-ethylpiperidin-1-yl)-1,3,4-oxadiazol-2-yl]methyl]ethanamine has a molecular weight of 238.33 g/mol, XLogP of 1.95, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(2-ethylpiperidin-1-yl)-1,3,4-oxadiazol-2-yl]methyl]ethanamine is sourced from PubChem (CID 106968736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).