2-methyl-1-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]piperidin-4-amine

C11H20N4O — CID 106418175

IUPAC2-methyl-1-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]piperidin-4-amine
SMILESCc1nc(CCN2CCC(N)CC2C)no1
InChIInChI=1S/C11H20N4O/c1-8-7-10(12)3-5-15(8)6-4-11-13-9(2)16-14-11/h8,10H,3-7,12H2,1-2H3
InChIKeyKPYSOERIOZOILU-UHFFFAOYSA-N
MW224.31 g/mol
LogP0.73
Rot. Bonds3

About 2-methyl-1-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]piperidin-4-amine

2-methyl-1-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]piperidin-4-amine (PubChem CID 106418175) has the molecular formula C11H20N4O and a molecular weight of 224.31 g/mol. Its IUPAC name is 2-methyl-1-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]piperidin-4-amine.

Molecular Properties

Compound Name2-methyl-1-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]piperidin-4-amine
PubChem CID106418175
Molecular FormulaC11H20N4O
Molecular Weight224.31 g/mol
Exact Mass224.16
IUPAC Name2-methyl-1-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]piperidin-4-amine
SMILESCc1nc(CCN2CCC(N)CC2C)no1
InChIInChI=1S/C11H20N4O/c1-8-7-10(12)3-5-15(8)6-4-11-13-9(2)16-14-11/h8,10H,3-7,12H2,1-2H3
InChIKeyKPYSOERIOZOILU-UHFFFAOYSA-N
XLogP0.73
TPSA68.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.31
LogP ≤ 50.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-amino-1-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]pyrrolidin-2-one
CID 106418197
3-[2-(5-cyclopropyl-2,5-dimethylpiperazin-1-yl)ethyl]-5-methyl-1,2,4-oxadiazole
CID 106421427
5-methyl-3-[(2-methylpiperidin-1-yl)methyl]-1,2,4-oxadiazole
CID 172900478
1-[[5-(2-chlorophenyl)-1,2,4-oxadiazol-3-yl]methyl]-2-methylpiperidin-4-amine
CID 115312991
1-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-2-methylpiperidin-4-amine
CID 115313088
9-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]-9-azabicyclo[3.3.1]nonan-3-one
CID 106421134
N-ethyl-1-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]piperidin-4-amine
CID 106418172
N-[[1-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]pyrrolidin-3-yl]methyl]ethanamine
CID 106418274
N-[[1-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]pyrrolidin-3-yl]methyl]cyclopropanamine
CID 106418270
1-[2-(cyclopropylmethoxy)ethyl]-2-methylpiperidin-4-amine
CID 103821324
3-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-5-[[(2S)-2-methylpyrrolidin-1-yl]methyl]-1,2,4-oxadiazole
CID 99857571
3-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-5-[(2-methylpyrrolidin-1-yl)methyl]-1,2,4-oxadiazole
CID 91651007

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]piperidin-4-amine?
The IUPAC name of 2-methyl-1-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]piperidin-4-amine (CID 106418175) is 2-methyl-1-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]piperidin-4-amine.
What is the SMILES notation for 2-methyl-1-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]piperidin-4-amine?
The canonical SMILES for 2-methyl-1-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]piperidin-4-amine is Cc1nc(CCN2CCC(N)CC2C)no1.
What is the InChIKey of 2-methyl-1-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]piperidin-4-amine?
The InChIKey is KPYSOERIOZOILU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4O/c1-8-7-10(12)3-5-15(8)6-4-11-13-9(2)16-14-11/h8,10H,3-7,12H2,1-2H3.
What are the key properties of 2-methyl-1-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]piperidin-4-amine?
2-methyl-1-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]piperidin-4-amine has a molecular weight of 224.31 g/mol, XLogP of 0.73, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]piperidin-4-amine is sourced from PubChem (CID 106418175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).