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

C13H24N4O — CID 79867727

IUPAC1-[(5-tert-butyl-1,3,4-oxadiazol-2-yl)methyl]-3-methylpiperidin-4-amine
SMILESCC1CN(Cc2nnc(C(C)(C)C)o2)CCC1N
InChIInChI=1S/C13H24N4O/c1-9-7-17(6-5-10(9)14)8-11-15-16-12(18-11)13(2,3)4/h9-10H,5-8,14H2,1-4H3
InChIKeyQBTSXNHBVKDRSB-UHFFFAOYSA-N
MW252.36 g/mol
LogP1.54
Rot. Bonds2

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

1-[(5-tert-butyl-1,3,4-oxadiazol-2-yl)methyl]-3-methylpiperidin-4-amine (PubChem CID 79867727) has the molecular formula C13H24N4O and a molecular weight of 252.36 g/mol. Its IUPAC name is 1-[(5-tert-butyl-1,3,4-oxadiazol-2-yl)methyl]-3-methylpiperidin-4-amine.

Molecular Properties

Compound Name1-[(5-tert-butyl-1,3,4-oxadiazol-2-yl)methyl]-3-methylpiperidin-4-amine
PubChem CID79867727
Molecular FormulaC13H24N4O
Molecular Weight252.36 g/mol
Exact Mass252.20
IUPAC Name1-[(5-tert-butyl-1,3,4-oxadiazol-2-yl)methyl]-3-methylpiperidin-4-amine
SMILESCC1CN(Cc2nnc(C(C)(C)C)o2)CCC1N
InChIInChI=1S/C13H24N4O/c1-9-7-17(6-5-10(9)14)8-11-15-16-12(18-11)13(2,3)4/h9-10H,5-8,14H2,1-4H3
InChIKeyQBTSXNHBVKDRSB-UHFFFAOYSA-N
XLogP1.54
TPSA68.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.36
LogP ≤ 51.54
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]-3-methylpiperidin-4-amine?
The IUPAC name of 1-[(5-tert-butyl-1,3,4-oxadiazol-2-yl)methyl]-3-methylpiperidin-4-amine (CID 79867727) is 1-[(5-tert-butyl-1,3,4-oxadiazol-2-yl)methyl]-3-methylpiperidin-4-amine.
What is the SMILES notation for 1-[(5-tert-butyl-1,3,4-oxadiazol-2-yl)methyl]-3-methylpiperidin-4-amine?
The canonical SMILES for 1-[(5-tert-butyl-1,3,4-oxadiazol-2-yl)methyl]-3-methylpiperidin-4-amine is CC1CN(Cc2nnc(C(C)(C)C)o2)CCC1N.
What is the InChIKey of 1-[(5-tert-butyl-1,3,4-oxadiazol-2-yl)methyl]-3-methylpiperidin-4-amine?
The InChIKey is QBTSXNHBVKDRSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4O/c1-9-7-17(6-5-10(9)14)8-11-15-16-12(18-11)13(2,3)4/h9-10H,5-8,14H2,1-4H3.
What are the key properties of 1-[(5-tert-butyl-1,3,4-oxadiazol-2-yl)methyl]-3-methylpiperidin-4-amine?
1-[(5-tert-butyl-1,3,4-oxadiazol-2-yl)methyl]-3-methylpiperidin-4-amine has a molecular weight of 252.36 g/mol, XLogP of 1.54, 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]-3-methylpiperidin-4-amine is sourced from PubChem (CID 79867727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).