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

C9H16N4O — CID 71778174

IUPAC[5-(1-methylpiperidin-4-yl)-1,3,4-oxadiazol-2-yl]methanamine
SMILESCN1CCC(c2nnc(CN)o2)CC1
InChIInChI=1S/C9H16N4O/c1-13-4-2-7(3-5-13)9-12-11-8(6-10)14-9/h7H,2-6,10H2,1H3
InChIKeyPXGCGIHSWLJYTG-UHFFFAOYSA-N
MW196.25 g/mol
LogP0.34
Rot. Bonds2

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

[5-(1-methylpiperidin-4-yl)-1,3,4-oxadiazol-2-yl]methanamine (PubChem CID 71778174) has the molecular formula C9H16N4O and a molecular weight of 196.25 g/mol. Its IUPAC name is [5-(1-methylpiperidin-4-yl)-1,3,4-oxadiazol-2-yl]methanamine.

Molecular Properties

Compound Name[5-(1-methylpiperidin-4-yl)-1,3,4-oxadiazol-2-yl]methanamine
PubChem CID71778174
Molecular FormulaC9H16N4O
Molecular Weight196.25 g/mol
Exact Mass196.13
IUPAC Name[5-(1-methylpiperidin-4-yl)-1,3,4-oxadiazol-2-yl]methanamine
SMILESCN1CCC(c2nnc(CN)o2)CC1
InChIInChI=1S/C9H16N4O/c1-13-4-2-7(3-5-13)9-12-11-8(6-10)14-9/h7H,2-6,10H2,1H3
InChIKeyPXGCGIHSWLJYTG-UHFFFAOYSA-N
XLogP0.34
TPSA68.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.25
LogP ≤ 50.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methanamine;hydrochloride
CID 75481650
[5-(1,1-dioxothian-4-yl)-1,3,4-oxadiazol-2-yl]methanamine
CID 115038282
[5-[(2R)-1-methylpyrrolidin-2-yl]-1,3,4-oxadiazol-2-yl]methanamine
CID 97297591
1-(5-cyclopentyl-1,3,4-oxadiazol-2-yl)propan-2-amine
CID 84666403
2-[5-(1,1-dioxothian-4-yl)-1,3,4-oxadiazol-2-yl]ethanamine
CID 115045595
5-[5-(1-methylpiperidin-4-yl)-1,3,4-oxadiazol-2-yl]pyridin-2-amine
CID 146552518
2-(chloromethyl)-5-cyclopentyl-1,3,4-oxadiazole
CID 30060551
2-[(4-fluorophenoxy)methyl]-5-(1-methylpyrrolidin-3-yl)-1,3,4-oxadiazole
CID 75615590
1-[4-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]piperazin-1-yl]ethanone
CID 47520358
2-[5-(1-methylpiperidin-4-yl)furan-2-yl]ethanamine
CID 83820490
1-[2-(1-methylpiperidin-4-yl)-1,3-oxazol-5-yl]propan-2-amine
CID 115085155
[2-(1-methylpyrrolidin-3-yl)-1,3-oxazol-4-yl]methanamine
CID 115082061

Frequently Asked Questions

What is the IUPAC name of [5-(1-methylpiperidin-4-yl)-1,3,4-oxadiazol-2-yl]methanamine?
The IUPAC name of [5-(1-methylpiperidin-4-yl)-1,3,4-oxadiazol-2-yl]methanamine (CID 71778174) is [5-(1-methylpiperidin-4-yl)-1,3,4-oxadiazol-2-yl]methanamine.
What is the SMILES notation for [5-(1-methylpiperidin-4-yl)-1,3,4-oxadiazol-2-yl]methanamine?
The canonical SMILES for [5-(1-methylpiperidin-4-yl)-1,3,4-oxadiazol-2-yl]methanamine is CN1CCC(c2nnc(CN)o2)CC1.
What is the InChIKey of [5-(1-methylpiperidin-4-yl)-1,3,4-oxadiazol-2-yl]methanamine?
The InChIKey is PXGCGIHSWLJYTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N4O/c1-13-4-2-7(3-5-13)9-12-11-8(6-10)14-9/h7H,2-6,10H2,1H3.
What are the key properties of [5-(1-methylpiperidin-4-yl)-1,3,4-oxadiazol-2-yl]methanamine?
[5-(1-methylpiperidin-4-yl)-1,3,4-oxadiazol-2-yl]methanamine has a molecular weight of 196.25 g/mol, XLogP of 0.34, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(1-methylpiperidin-4-yl)-1,3,4-oxadiazol-2-yl]methanamine is sourced from PubChem (CID 71778174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).