1-benzyl-4-(1,2,4-oxadiazol-3-yl)piperidin-4-amine

C14H18N4O — CID 43559187

IUPAC1-benzyl-4-(1,2,4-oxadiazol-3-yl)piperidin-4-amine
SMILESNC1(c2ncon2)CCN(Cc2ccccc2)CC1
InChIInChI=1S/C14H18N4O/c15-14(13-16-11-19-17-13)6-8-18(9-7-14)10-12-4-2-1-3-5-12/h1-5,11H,6-10,15H2
InChIKeyOODKWFFIMIMAQN-UHFFFAOYSA-N
MW258.32 g/mol
LogP1.52
Rot. Bonds3

About 1-benzyl-4-(1,2,4-oxadiazol-3-yl)piperidin-4-amine

1-benzyl-4-(1,2,4-oxadiazol-3-yl)piperidin-4-amine (PubChem CID 43559187) has the molecular formula C14H18N4O and a molecular weight of 258.32 g/mol. Its IUPAC name is 1-benzyl-4-(1,2,4-oxadiazol-3-yl)piperidin-4-amine.

Molecular Properties

Compound Name1-benzyl-4-(1,2,4-oxadiazol-3-yl)piperidin-4-amine
PubChem CID43559187
Molecular FormulaC14H18N4O
Molecular Weight258.32 g/mol
Exact Mass258.15
IUPAC Name1-benzyl-4-(1,2,4-oxadiazol-3-yl)piperidin-4-amine
SMILESNC1(c2ncon2)CCN(Cc2ccccc2)CC1
InChIInChI=1S/C14H18N4O/c15-14(13-16-11-19-17-13)6-8-18(9-7-14)10-12-4-2-1-3-5-12/h1-5,11H,6-10,15H2
InChIKeyOODKWFFIMIMAQN-UHFFFAOYSA-N
XLogP1.52
TPSA68.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-benzyl-4-(1,2,4-oxadiazol-3-yl)piperidin-4-amine?
The IUPAC name of 1-benzyl-4-(1,2,4-oxadiazol-3-yl)piperidin-4-amine (CID 43559187) is 1-benzyl-4-(1,2,4-oxadiazol-3-yl)piperidin-4-amine.
What is the SMILES notation for 1-benzyl-4-(1,2,4-oxadiazol-3-yl)piperidin-4-amine?
The canonical SMILES for 1-benzyl-4-(1,2,4-oxadiazol-3-yl)piperidin-4-amine is NC1(c2ncon2)CCN(Cc2ccccc2)CC1.
What is the InChIKey of 1-benzyl-4-(1,2,4-oxadiazol-3-yl)piperidin-4-amine?
The InChIKey is OODKWFFIMIMAQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O/c15-14(13-16-11-19-17-13)6-8-18(9-7-14)10-12-4-2-1-3-5-12/h1-5,11H,6-10,15H2.
What are the key properties of 1-benzyl-4-(1,2,4-oxadiazol-3-yl)piperidin-4-amine?
1-benzyl-4-(1,2,4-oxadiazol-3-yl)piperidin-4-amine has a molecular weight of 258.32 g/mol, XLogP of 1.52, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-4-(1,2,4-oxadiazol-3-yl)piperidin-4-amine is sourced from PubChem (CID 43559187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).