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

C12H22N4O — CID 43556530

IUPAC1-[(5-tert-butyl-1,3,4-oxadiazol-2-yl)methyl]piperidin-4-amine
SMILESCC(C)(C)c1nnc(CN2CCC(N)CC2)o1
InChIInChI=1S/C12H22N4O/c1-12(2,3)11-15-14-10(17-11)8-16-6-4-9(13)5-7-16/h9H,4-8,13H2,1-3H3
InChIKeyFHCNDLOJCQPRBO-UHFFFAOYSA-N
MW238.33 g/mol
LogP1.29
Rot. Bonds2

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

1-[(5-tert-butyl-1,3,4-oxadiazol-2-yl)methyl]piperidin-4-amine (PubChem CID 43556530) has the molecular formula C12H22N4O and a molecular weight of 238.33 g/mol. Its IUPAC name is 1-[(5-tert-butyl-1,3,4-oxadiazol-2-yl)methyl]piperidin-4-amine.

Molecular Properties

Compound Name1-[(5-tert-butyl-1,3,4-oxadiazol-2-yl)methyl]piperidin-4-amine
PubChem CID43556530
Molecular FormulaC12H22N4O
Molecular Weight238.33 g/mol
Exact Mass238.18
IUPAC Name1-[(5-tert-butyl-1,3,4-oxadiazol-2-yl)methyl]piperidin-4-amine
SMILESCC(C)(C)c1nnc(CN2CCC(N)CC2)o1
InChIInChI=1S/C12H22N4O/c1-12(2,3)11-15-14-10(17-11)8-16-6-4-9(13)5-7-16/h9H,4-8,13H2,1-3H3
InChIKeyFHCNDLOJCQPRBO-UHFFFAOYSA-N
XLogP1.29
TPSA68.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[(5-tert-butyl-1,3,4-oxadiazol-2-yl)methyl]piperidin-4-amine?
The IUPAC name of 1-[(5-tert-butyl-1,3,4-oxadiazol-2-yl)methyl]piperidin-4-amine (CID 43556530) is 1-[(5-tert-butyl-1,3,4-oxadiazol-2-yl)methyl]piperidin-4-amine.
What is the SMILES notation for 1-[(5-tert-butyl-1,3,4-oxadiazol-2-yl)methyl]piperidin-4-amine?
The canonical SMILES for 1-[(5-tert-butyl-1,3,4-oxadiazol-2-yl)methyl]piperidin-4-amine is CC(C)(C)c1nnc(CN2CCC(N)CC2)o1.
What is the InChIKey of 1-[(5-tert-butyl-1,3,4-oxadiazol-2-yl)methyl]piperidin-4-amine?
The InChIKey is FHCNDLOJCQPRBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4O/c1-12(2,3)11-15-14-10(17-11)8-16-6-4-9(13)5-7-16/h9H,4-8,13H2,1-3H3.
What are the key properties of 1-[(5-tert-butyl-1,3,4-oxadiazol-2-yl)methyl]piperidin-4-amine?
1-[(5-tert-butyl-1,3,4-oxadiazol-2-yl)methyl]piperidin-4-amine has a molecular weight of 238.33 g/mol, XLogP of 1.29, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-tert-butyl-1,3,4-oxadiazol-2-yl)methyl]piperidin-4-amine is sourced from PubChem (CID 43556530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).