1-(1,2-oxazol-5-ylmethyl)piperidin-4-amine

C9H15N3O — CID 43556584

IUPAC1-(1,2-oxazol-5-ylmethyl)piperidin-4-amine
SMILESNC1CCN(Cc2ccno2)CC1
InChIInChI=1S/C9H15N3O/c10-8-2-5-12(6-3-8)7-9-1-4-11-13-9/h1,4,8H,2-3,5-7,10H2
InChIKeyDIPFZTWYMQJPII-UHFFFAOYSA-N
MW181.24 g/mol
LogP0.60
Rot. Bonds2

About 1-(1,2-oxazol-5-ylmethyl)piperidin-4-amine

1-(1,2-oxazol-5-ylmethyl)piperidin-4-amine (PubChem CID 43556584) has the molecular formula C9H15N3O and a molecular weight of 181.24 g/mol. Its IUPAC name is 1-(1,2-oxazol-5-ylmethyl)piperidin-4-amine.

Molecular Properties

Compound Name1-(1,2-oxazol-5-ylmethyl)piperidin-4-amine
PubChem CID43556584
Molecular FormulaC9H15N3O
Molecular Weight181.24 g/mol
Exact Mass181.12
IUPAC Name1-(1,2-oxazol-5-ylmethyl)piperidin-4-amine
SMILESNC1CCN(Cc2ccno2)CC1
InChIInChI=1S/C9H15N3O/c10-8-2-5-12(6-3-8)7-9-1-4-11-13-9/h1,4,8H,2-3,5-7,10H2
InChIKeyDIPFZTWYMQJPII-UHFFFAOYSA-N
XLogP0.60
TPSA55.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.24
LogP ≤ 50.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(1,2-oxazol-5-ylmethyl)piperidin-4-amine?
The IUPAC name of 1-(1,2-oxazol-5-ylmethyl)piperidin-4-amine (CID 43556584) is 1-(1,2-oxazol-5-ylmethyl)piperidin-4-amine.
What is the SMILES notation for 1-(1,2-oxazol-5-ylmethyl)piperidin-4-amine?
The canonical SMILES for 1-(1,2-oxazol-5-ylmethyl)piperidin-4-amine is NC1CCN(Cc2ccno2)CC1.
What is the InChIKey of 1-(1,2-oxazol-5-ylmethyl)piperidin-4-amine?
The InChIKey is DIPFZTWYMQJPII-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O/c10-8-2-5-12(6-3-8)7-9-1-4-11-13-9/h1,4,8H,2-3,5-7,10H2.
What are the key properties of 1-(1,2-oxazol-5-ylmethyl)piperidin-4-amine?
1-(1,2-oxazol-5-ylmethyl)piperidin-4-amine has a molecular weight of 181.24 g/mol, XLogP of 0.60, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,2-oxazol-5-ylmethyl)piperidin-4-amine is sourced from PubChem (CID 43556584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).