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

C15H28N4O2 — CID 79737485

IUPAC3-[1-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-4-yl]oxypropan-1-amine
SMILESCC(C)(C)c1noc(CN2CCC(OCCCN)CC2)n1
InChIInChI=1S/C15H28N4O2/c1-15(2,3)14-17-13(21-18-14)11-19-8-5-12(6-9-19)20-10-4-7-16/h12H,4-11,16H2,1-3H3
InChIKeyGTKGMTMDHBFVOV-UHFFFAOYSA-N
MW296.42 g/mol
LogP1.70
Rot. Bonds6

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

3-[1-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-4-yl]oxypropan-1-amine (PubChem CID 79737485) has the molecular formula C15H28N4O2 and a molecular weight of 296.42 g/mol. Its IUPAC name is 3-[1-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-4-yl]oxypropan-1-amine.

Molecular Properties

Compound Name3-[1-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-4-yl]oxypropan-1-amine
PubChem CID79737485
Molecular FormulaC15H28N4O2
Molecular Weight296.42 g/mol
Exact Mass296.22
IUPAC Name3-[1-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-4-yl]oxypropan-1-amine
SMILESCC(C)(C)c1noc(CN2CCC(OCCCN)CC2)n1
InChIInChI=1S/C15H28N4O2/c1-15(2,3)14-17-13(21-18-14)11-19-8-5-12(6-9-19)20-10-4-7-16/h12H,4-11,16H2,1-3H3
InChIKeyGTKGMTMDHBFVOV-UHFFFAOYSA-N
XLogP1.70
TPSA77.41 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.42
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-[1-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-4-yl]oxypropan-1-amine?
The IUPAC name of 3-[1-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-4-yl]oxypropan-1-amine (CID 79737485) is 3-[1-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-4-yl]oxypropan-1-amine.
What is the SMILES notation for 3-[1-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-4-yl]oxypropan-1-amine?
The canonical SMILES for 3-[1-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-4-yl]oxypropan-1-amine is CC(C)(C)c1noc(CN2CCC(OCCCN)CC2)n1.
What is the InChIKey of 3-[1-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-4-yl]oxypropan-1-amine?
The InChIKey is GTKGMTMDHBFVOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N4O2/c1-15(2,3)14-17-13(21-18-14)11-19-8-5-12(6-9-19)20-10-4-7-16/h12H,4-11,16H2,1-3H3.
What are the key properties of 3-[1-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-4-yl]oxypropan-1-amine?
3-[1-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-4-yl]oxypropan-1-amine has a molecular weight of 296.42 g/mol, XLogP of 1.70, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-4-yl]oxypropan-1-amine is sourced from PubChem (CID 79737485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).