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

C17H24N4O — CID 51108424

IUPAC1-[1-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl]-N-(2-methylphenyl)piperidin-4-amine
SMILESCc1nnc(C(C)N2CCC(Nc3ccccc3C)CC2)o1
InChIInChI=1S/C17H24N4O/c1-12-6-4-5-7-16(12)18-15-8-10-21(11-9-15)13(2)17-20-19-14(3)22-17/h4-7,13,15,18H,8-11H2,1-3H3
InChIKeyRNIJFZHZMRDWHZ-UHFFFAOYSA-N
MW300.41 g/mol
LogP3.32
Rot. Bonds4

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

1-[1-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl]-N-(2-methylphenyl)piperidin-4-amine (PubChem CID 51108424) has the molecular formula C17H24N4O and a molecular weight of 300.41 g/mol. Its IUPAC name is 1-[1-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl]-N-(2-methylphenyl)piperidin-4-amine.

Molecular Properties

Compound Name1-[1-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl]-N-(2-methylphenyl)piperidin-4-amine
PubChem CID51108424
Molecular FormulaC17H24N4O
Molecular Weight300.41 g/mol
Exact Mass300.20
IUPAC Name1-[1-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl]-N-(2-methylphenyl)piperidin-4-amine
SMILESCc1nnc(C(C)N2CCC(Nc3ccccc3C)CC2)o1
InChIInChI=1S/C17H24N4O/c1-12-6-4-5-7-16(12)18-15-8-10-21(11-9-15)13(2)17-20-19-14(3)22-17/h4-7,13,15,18H,8-11H2,1-3H3
InChIKeyRNIJFZHZMRDWHZ-UHFFFAOYSA-N
XLogP3.32
TPSA54.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.41
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl]-N-(2-methylphenyl)piperidin-4-amine?
The IUPAC name of 1-[1-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl]-N-(2-methylphenyl)piperidin-4-amine (CID 51108424) is 1-[1-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl]-N-(2-methylphenyl)piperidin-4-amine.
What is the SMILES notation for 1-[1-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl]-N-(2-methylphenyl)piperidin-4-amine?
The canonical SMILES for 1-[1-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl]-N-(2-methylphenyl)piperidin-4-amine is Cc1nnc(C(C)N2CCC(Nc3ccccc3C)CC2)o1.
What is the InChIKey of 1-[1-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl]-N-(2-methylphenyl)piperidin-4-amine?
The InChIKey is RNIJFZHZMRDWHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4O/c1-12-6-4-5-7-16(12)18-15-8-10-21(11-9-15)13(2)17-20-19-14(3)22-17/h4-7,13,15,18H,8-11H2,1-3H3.
What are the key properties of 1-[1-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl]-N-(2-methylphenyl)piperidin-4-amine?
1-[1-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl]-N-(2-methylphenyl)piperidin-4-amine has a molecular weight of 300.41 g/mol, XLogP of 3.32, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl]-N-(2-methylphenyl)piperidin-4-amine is sourced from PubChem (CID 51108424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).