[3-[(3-methylpiperidin-1-yl)methyl]-1,2,4-oxadiazol-5-yl]methanamine

C10H18N4O — CID 120750400

IUPAC[3-[(3-methylpiperidin-1-yl)methyl]-1,2,4-oxadiazol-5-yl]methanamine
SMILESCC1CCCN(Cc2noc(CN)n2)C1
InChIInChI=1S/C10H18N4O/c1-8-3-2-4-14(6-8)7-9-12-10(5-11)15-13-9/h8H,2-7,11H2,1H3
InChIKeyCXCGBJBXWCUJOQ-UHFFFAOYSA-N
MW210.28 g/mol
LogP0.76
Rot. Bonds3

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

[3-[(3-methylpiperidin-1-yl)methyl]-1,2,4-oxadiazol-5-yl]methanamine (PubChem CID 120750400) has the molecular formula C10H18N4O and a molecular weight of 210.28 g/mol. Its IUPAC name is [3-[(3-methylpiperidin-1-yl)methyl]-1,2,4-oxadiazol-5-yl]methanamine.

Molecular Properties

Compound Name[3-[(3-methylpiperidin-1-yl)methyl]-1,2,4-oxadiazol-5-yl]methanamine
PubChem CID120750400
Molecular FormulaC10H18N4O
Molecular Weight210.28 g/mol
Exact Mass210.15
IUPAC Name[3-[(3-methylpiperidin-1-yl)methyl]-1,2,4-oxadiazol-5-yl]methanamine
SMILESCC1CCCN(Cc2noc(CN)n2)C1
InChIInChI=1S/C10H18N4O/c1-8-3-2-4-14(6-8)7-9-12-10(5-11)15-13-9/h8H,2-7,11H2,1H3
InChIKeyCXCGBJBXWCUJOQ-UHFFFAOYSA-N
XLogP0.76
TPSA68.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.28
LogP ≤ 50.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [3-[(3-methylpiperidin-1-yl)methyl]-1,2,4-oxadiazol-5-yl]methanamine?
The IUPAC name of [3-[(3-methylpiperidin-1-yl)methyl]-1,2,4-oxadiazol-5-yl]methanamine (CID 120750400) is [3-[(3-methylpiperidin-1-yl)methyl]-1,2,4-oxadiazol-5-yl]methanamine.
What is the SMILES notation for [3-[(3-methylpiperidin-1-yl)methyl]-1,2,4-oxadiazol-5-yl]methanamine?
The canonical SMILES for [3-[(3-methylpiperidin-1-yl)methyl]-1,2,4-oxadiazol-5-yl]methanamine is CC1CCCN(Cc2noc(CN)n2)C1.
What is the InChIKey of [3-[(3-methylpiperidin-1-yl)methyl]-1,2,4-oxadiazol-5-yl]methanamine?
The InChIKey is CXCGBJBXWCUJOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4O/c1-8-3-2-4-14(6-8)7-9-12-10(5-11)15-13-9/h8H,2-7,11H2,1H3.
What are the key properties of [3-[(3-methylpiperidin-1-yl)methyl]-1,2,4-oxadiazol-5-yl]methanamine?
[3-[(3-methylpiperidin-1-yl)methyl]-1,2,4-oxadiazol-5-yl]methanamine has a molecular weight of 210.28 g/mol, XLogP of 0.76, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[(3-methylpiperidin-1-yl)methyl]-1,2,4-oxadiazol-5-yl]methanamine is sourced from PubChem (CID 120750400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).