2-methyl-1-(1,2,4-oxadiazol-3-ylmethyl)-N-propylpiperidin-4-amine

C12H22N4O — CID 114184173

IUPAC2-methyl-1-(1,2,4-oxadiazol-3-ylmethyl)-N-propylpiperidin-4-amine
SMILESCCCNC1CCN(Cc2ncon2)C(C)C1
InChIInChI=1S/C12H22N4O/c1-3-5-13-11-4-6-16(10(2)7-11)8-12-14-9-17-15-12/h9-11,13H,3-8H2,1-2H3
InChIKeyXGCQLFKUJIAQEY-UHFFFAOYSA-N
MW238.33 g/mol
LogP1.42
Rot. Bonds5

About 2-methyl-1-(1,2,4-oxadiazol-3-ylmethyl)-N-propylpiperidin-4-amine

2-methyl-1-(1,2,4-oxadiazol-3-ylmethyl)-N-propylpiperidin-4-amine (PubChem CID 114184173) has the molecular formula C12H22N4O and a molecular weight of 238.33 g/mol. Its IUPAC name is 2-methyl-1-(1,2,4-oxadiazol-3-ylmethyl)-N-propylpiperidin-4-amine.

Molecular Properties

Compound Name2-methyl-1-(1,2,4-oxadiazol-3-ylmethyl)-N-propylpiperidin-4-amine
PubChem CID114184173
Molecular FormulaC12H22N4O
Molecular Weight238.33 g/mol
Exact Mass238.18
IUPAC Name2-methyl-1-(1,2,4-oxadiazol-3-ylmethyl)-N-propylpiperidin-4-amine
SMILESCCCNC1CCN(Cc2ncon2)C(C)C1
InChIInChI=1S/C12H22N4O/c1-3-5-13-11-4-6-16(10(2)7-11)8-12-14-9-17-15-12/h9-11,13H,3-8H2,1-2H3
InChIKeyXGCQLFKUJIAQEY-UHFFFAOYSA-N
XLogP1.42
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 ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-(1,2,4-oxadiazol-3-ylmethyl)-N-propylpiperidin-4-amine?
The IUPAC name of 2-methyl-1-(1,2,4-oxadiazol-3-ylmethyl)-N-propylpiperidin-4-amine (CID 114184173) is 2-methyl-1-(1,2,4-oxadiazol-3-ylmethyl)-N-propylpiperidin-4-amine.
What is the SMILES notation for 2-methyl-1-(1,2,4-oxadiazol-3-ylmethyl)-N-propylpiperidin-4-amine?
The canonical SMILES for 2-methyl-1-(1,2,4-oxadiazol-3-ylmethyl)-N-propylpiperidin-4-amine is CCCNC1CCN(Cc2ncon2)C(C)C1.
What is the InChIKey of 2-methyl-1-(1,2,4-oxadiazol-3-ylmethyl)-N-propylpiperidin-4-amine?
The InChIKey is XGCQLFKUJIAQEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4O/c1-3-5-13-11-4-6-16(10(2)7-11)8-12-14-9-17-15-12/h9-11,13H,3-8H2,1-2H3.
What are the key properties of 2-methyl-1-(1,2,4-oxadiazol-3-ylmethyl)-N-propylpiperidin-4-amine?
2-methyl-1-(1,2,4-oxadiazol-3-ylmethyl)-N-propylpiperidin-4-amine has a molecular weight of 238.33 g/mol, XLogP of 1.42, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-(1,2,4-oxadiazol-3-ylmethyl)-N-propylpiperidin-4-amine is sourced from PubChem (CID 114184173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).