2-(4-fluoro-4-methylpiperidin-1-yl)-2-(1,3-oxazol-5-yl)ethanamine

C11H18FN3O — CID 118302997

IUPAC2-(4-fluoro-4-methylpiperidin-1-yl)-2-(1,3-oxazol-5-yl)ethanamine
SMILESCC1(F)CCN(C(CN)c2cnco2)CC1
InChIInChI=1S/C11H18FN3O/c1-11(12)2-4-15(5-3-11)9(6-13)10-7-14-8-16-10/h7-9H,2-6,13H2,1H3
InChIKeyVUHIRRQJVQZRBI-UHFFFAOYSA-N
MW227.28 g/mol
LogP1.50
Rot. Bonds3

About 2-(4-fluoro-4-methylpiperidin-1-yl)-2-(1,3-oxazol-5-yl)ethanamine

2-(4-fluoro-4-methylpiperidin-1-yl)-2-(1,3-oxazol-5-yl)ethanamine (PubChem CID 118302997) has the molecular formula C11H18FN3O and a molecular weight of 227.28 g/mol. Its IUPAC name is 2-(4-fluoro-4-methylpiperidin-1-yl)-2-(1,3-oxazol-5-yl)ethanamine.

Molecular Properties

Compound Name2-(4-fluoro-4-methylpiperidin-1-yl)-2-(1,3-oxazol-5-yl)ethanamine
PubChem CID118302997
Molecular FormulaC11H18FN3O
Molecular Weight227.28 g/mol
Exact Mass227.14
IUPAC Name2-(4-fluoro-4-methylpiperidin-1-yl)-2-(1,3-oxazol-5-yl)ethanamine
SMILESCC1(F)CCN(C(CN)c2cnco2)CC1
InChIInChI=1S/C11H18FN3O/c1-11(12)2-4-15(5-3-11)9(6-13)10-7-14-8-16-10/h7-9H,2-6,13H2,1H3
InChIKeyVUHIRRQJVQZRBI-UHFFFAOYSA-N
XLogP1.50
TPSA55.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.28
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4-fluoro-4-methylpiperidin-1-yl)-2-(1,3-oxazol-5-yl)ethanamine?
The IUPAC name of 2-(4-fluoro-4-methylpiperidin-1-yl)-2-(1,3-oxazol-5-yl)ethanamine (CID 118302997) is 2-(4-fluoro-4-methylpiperidin-1-yl)-2-(1,3-oxazol-5-yl)ethanamine.
What is the SMILES notation for 2-(4-fluoro-4-methylpiperidin-1-yl)-2-(1,3-oxazol-5-yl)ethanamine?
The canonical SMILES for 2-(4-fluoro-4-methylpiperidin-1-yl)-2-(1,3-oxazol-5-yl)ethanamine is CC1(F)CCN(C(CN)c2cnco2)CC1.
What is the InChIKey of 2-(4-fluoro-4-methylpiperidin-1-yl)-2-(1,3-oxazol-5-yl)ethanamine?
The InChIKey is VUHIRRQJVQZRBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18FN3O/c1-11(12)2-4-15(5-3-11)9(6-13)10-7-14-8-16-10/h7-9H,2-6,13H2,1H3.
What are the key properties of 2-(4-fluoro-4-methylpiperidin-1-yl)-2-(1,3-oxazol-5-yl)ethanamine?
2-(4-fluoro-4-methylpiperidin-1-yl)-2-(1,3-oxazol-5-yl)ethanamine has a molecular weight of 227.28 g/mol, XLogP of 1.50, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluoro-4-methylpiperidin-1-yl)-2-(1,3-oxazol-5-yl)ethanamine is sourced from PubChem (CID 118302997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).