N-methyl-1-[5-(4-propan-2-ylpiperidin-1-yl)-1,3,4-oxadiazol-2-yl]methanamine

C12H22N4O — CID 106967346

IUPACN-methyl-1-[5-(4-propan-2-ylpiperidin-1-yl)-1,3,4-oxadiazol-2-yl]methanamine
SMILESCNCc1nnc(N2CCC(C(C)C)CC2)o1
InChIInChI=1S/C12H22N4O/c1-9(2)10-4-6-16(7-5-10)12-15-14-11(17-12)8-13-3/h9-10,13H,4-8H2,1-3H3
InChIKeyDINIWBWIURTONJ-UHFFFAOYSA-N
MW238.33 g/mol
LogP1.66
Rot. Bonds4

About N-methyl-1-[5-(4-propan-2-ylpiperidin-1-yl)-1,3,4-oxadiazol-2-yl]methanamine

N-methyl-1-[5-(4-propan-2-ylpiperidin-1-yl)-1,3,4-oxadiazol-2-yl]methanamine (PubChem CID 106967346) has the molecular formula C12H22N4O and a molecular weight of 238.33 g/mol. Its IUPAC name is N-methyl-1-[5-(4-propan-2-ylpiperidin-1-yl)-1,3,4-oxadiazol-2-yl]methanamine.

Molecular Properties

Compound NameN-methyl-1-[5-(4-propan-2-ylpiperidin-1-yl)-1,3,4-oxadiazol-2-yl]methanamine
PubChem CID106967346
Molecular FormulaC12H22N4O
Molecular Weight238.33 g/mol
Exact Mass238.18
IUPAC NameN-methyl-1-[5-(4-propan-2-ylpiperidin-1-yl)-1,3,4-oxadiazol-2-yl]methanamine
SMILESCNCc1nnc(N2CCC(C(C)C)CC2)o1
InChIInChI=1S/C12H22N4O/c1-9(2)10-4-6-16(7-5-10)12-15-14-11(17-12)8-13-3/h9-10,13H,4-8H2,1-3H3
InChIKeyDINIWBWIURTONJ-UHFFFAOYSA-N
XLogP1.66
TPSA54.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[5-(4-propan-2-ylpiperidin-1-yl)-1,3,4-oxadiazol-2-yl]methyl]propan-1-amine
CID 106967348
1-[5-(4-ethylazepan-1-yl)-1,3,4-oxadiazol-2-yl]-N-methylmethanamine
CID 106962399
1-[5-(4-tert-butylazepan-1-yl)-1,3,4-oxadiazol-2-yl]-N-methylmethanamine
CID 106962132
1-[5-(3,4-dimethylpyrrolidin-1-yl)-1,3,4-oxadiazol-2-yl]-N-methylmethanamine
CID 106962753
N-[[5-(4-methylpiperidin-1-yl)-1,3,4-oxadiazol-2-yl]methyl]ethanamine
CID 106967471
2-methyl-N-[[5-(4-propylpiperidin-1-yl)-1,3,4-oxadiazol-2-yl]methyl]propan-1-amine
CID 106960422
N-methyl-1-[2-(4-propan-2-ylpiperidin-1-yl)-1,3-oxazol-4-yl]methanamine
CID 103503007
[1-[5-(ethylaminomethyl)-1,3,4-oxadiazol-2-yl]piperidin-4-yl]methanol
CID 106968380
N-methyl-1-[5-(methylaminomethyl)-1,3,4-oxadiazol-2-yl]piperidine-3-carboxamide
CID 106965704
1-[1-[5-(2-chloroethyl)-1,3,4-oxadiazol-2-yl]piperidin-4-yl]ethanol
CID 106959217
N-[[5-(4-propylpiperidin-1-yl)-1,3,4-oxadiazol-2-yl]methyl]ethanamine
CID 106960424
6-[5-(methylaminomethyl)-1,3,4-oxadiazol-2-yl]-1,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-2-one
CID 106963632

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[5-(4-propan-2-ylpiperidin-1-yl)-1,3,4-oxadiazol-2-yl]methanamine?
The IUPAC name of N-methyl-1-[5-(4-propan-2-ylpiperidin-1-yl)-1,3,4-oxadiazol-2-yl]methanamine (CID 106967346) is N-methyl-1-[5-(4-propan-2-ylpiperidin-1-yl)-1,3,4-oxadiazol-2-yl]methanamine.
What is the SMILES notation for N-methyl-1-[5-(4-propan-2-ylpiperidin-1-yl)-1,3,4-oxadiazol-2-yl]methanamine?
The canonical SMILES for N-methyl-1-[5-(4-propan-2-ylpiperidin-1-yl)-1,3,4-oxadiazol-2-yl]methanamine is CNCc1nnc(N2CCC(C(C)C)CC2)o1.
What is the InChIKey of N-methyl-1-[5-(4-propan-2-ylpiperidin-1-yl)-1,3,4-oxadiazol-2-yl]methanamine?
The InChIKey is DINIWBWIURTONJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4O/c1-9(2)10-4-6-16(7-5-10)12-15-14-11(17-12)8-13-3/h9-10,13H,4-8H2,1-3H3.
What are the key properties of N-methyl-1-[5-(4-propan-2-ylpiperidin-1-yl)-1,3,4-oxadiazol-2-yl]methanamine?
N-methyl-1-[5-(4-propan-2-ylpiperidin-1-yl)-1,3,4-oxadiazol-2-yl]methanamine has a molecular weight of 238.33 g/mol, XLogP of 1.66, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[5-(4-propan-2-ylpiperidin-1-yl)-1,3,4-oxadiazol-2-yl]methanamine is sourced from PubChem (CID 106967346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).