3,3-dimethyl-1-(1,3-oxazol-4-ylmethyl)piperidin-4-amine

C11H19N3O — CID 120847083

IUPAC3,3-dimethyl-1-(1,3-oxazol-4-ylmethyl)piperidin-4-amine
SMILESCC1(C)CN(Cc2cocn2)CCC1N
InChIInChI=1S/C11H19N3O/c1-11(2)7-14(4-3-10(11)12)5-9-6-15-8-13-9/h6,8,10H,3-5,7,12H2,1-2H3
InChIKeyHRRGPNFMOUIJCY-UHFFFAOYSA-N
MW209.29 g/mol
LogP1.23
Rot. Bonds2

About 3,3-dimethyl-1-(1,3-oxazol-4-ylmethyl)piperidin-4-amine

3,3-dimethyl-1-(1,3-oxazol-4-ylmethyl)piperidin-4-amine (PubChem CID 120847083) has the molecular formula C11H19N3O and a molecular weight of 209.29 g/mol. Its IUPAC name is 3,3-dimethyl-1-(1,3-oxazol-4-ylmethyl)piperidin-4-amine.

Molecular Properties

Compound Name3,3-dimethyl-1-(1,3-oxazol-4-ylmethyl)piperidin-4-amine
PubChem CID120847083
Molecular FormulaC11H19N3O
Molecular Weight209.29 g/mol
Exact Mass209.15
IUPAC Name3,3-dimethyl-1-(1,3-oxazol-4-ylmethyl)piperidin-4-amine
SMILESCC1(C)CN(Cc2cocn2)CCC1N
InChIInChI=1S/C11H19N3O/c1-11(2)7-14(4-3-10(11)12)5-9-6-15-8-13-9/h6,8,10H,3-5,7,12H2,1-2H3
InChIKeyHRRGPNFMOUIJCY-UHFFFAOYSA-N
XLogP1.23
TPSA55.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.29
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-1-(1,3-oxazol-4-ylmethyl)piperidin-4-amine?
The IUPAC name of 3,3-dimethyl-1-(1,3-oxazol-4-ylmethyl)piperidin-4-amine (CID 120847083) is 3,3-dimethyl-1-(1,3-oxazol-4-ylmethyl)piperidin-4-amine.
What is the SMILES notation for 3,3-dimethyl-1-(1,3-oxazol-4-ylmethyl)piperidin-4-amine?
The canonical SMILES for 3,3-dimethyl-1-(1,3-oxazol-4-ylmethyl)piperidin-4-amine is CC1(C)CN(Cc2cocn2)CCC1N.
What is the InChIKey of 3,3-dimethyl-1-(1,3-oxazol-4-ylmethyl)piperidin-4-amine?
The InChIKey is HRRGPNFMOUIJCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O/c1-11(2)7-14(4-3-10(11)12)5-9-6-15-8-13-9/h6,8,10H,3-5,7,12H2,1-2H3.
What are the key properties of 3,3-dimethyl-1-(1,3-oxazol-4-ylmethyl)piperidin-4-amine?
3,3-dimethyl-1-(1,3-oxazol-4-ylmethyl)piperidin-4-amine has a molecular weight of 209.29 g/mol, XLogP of 1.23, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-1-(1,3-oxazol-4-ylmethyl)piperidin-4-amine is sourced from PubChem (CID 120847083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).