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

C11H19FN3OP — CID 134404958

IUPAC2-(4-fluoro-4-phosphanylpiperidin-1-yl)-2-(4-methyl-1,3-oxazol-5-yl)ethanamine
SMILESCc1ncoc1C(CN)N1CCC(F)(P)CC1
InChIInChI=1S/C11H19FN3OP/c1-8-10(16-7-14-8)9(6-13)15-4-2-11(12,17)3-5-15/h7,9H,2-6,13,17H2,1H3
InChIKeyFKTNPWIGLVNNPC-UHFFFAOYSA-N
MW259.26 g/mol
LogP1.62
Rot. Bonds3

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

2-(4-fluoro-4-phosphanylpiperidin-1-yl)-2-(4-methyl-1,3-oxazol-5-yl)ethanamine (PubChem CID 134404958) has the molecular formula C11H19FN3OP and a molecular weight of 259.26 g/mol. Its IUPAC name is 2-(4-fluoro-4-phosphanylpiperidin-1-yl)-2-(4-methyl-1,3-oxazol-5-yl)ethanamine.

Molecular Properties

Compound Name2-(4-fluoro-4-phosphanylpiperidin-1-yl)-2-(4-methyl-1,3-oxazol-5-yl)ethanamine
PubChem CID134404958
Molecular FormulaC11H19FN3OP
Molecular Weight259.26 g/mol
Exact Mass259.12
IUPAC Name2-(4-fluoro-4-phosphanylpiperidin-1-yl)-2-(4-methyl-1,3-oxazol-5-yl)ethanamine
SMILESCc1ncoc1C(CN)N1CCC(F)(P)CC1
InChIInChI=1S/C11H19FN3OP/c1-8-10(16-7-14-8)9(6-13)15-4-2-11(12,17)3-5-15/h7,9H,2-6,13,17H2,1H3
InChIKeyFKTNPWIGLVNNPC-UHFFFAOYSA-N
XLogP1.62
TPSA55.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.26
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

4,5,6,7-Tetrahydrooxazolo(4,5-c)pyridine
CID 55263451
4H,5H,6H,7H-(1,3)oxazolo(4,5-c)pyridine; trifluoroacetic acid
CID 131701348
1-(5-Ethyl-1,3-oxazol-4-yl)methanamine hydrochloride
CID 170912231
1-[1-[5-(Trifluoromethyl)-1,3-oxazol-4-yl]ethyl]piperidin-4-amine
CID 117721595
2-(4,4-Difluoropiperidin-1-yl)-2-(4-methyl-1,3-oxazol-5-yl)acetonitrile
CID 118297276
2-(4,4-Difluoropiperidin-1-yl)-2-(2,4-dimethyl-1,3-oxazol-5-yl)ethanamine
CID 118297283
2-(4,4-Difluoropiperidin-1-yl)-2-(4-methyl-1,3-oxazol-5-yl)ethanamine
CID 118297302
N-[(5-ethyl-1,3-oxazol-4-yl)methyl]-2,2,2-trifluoroethanamine
CID 166789291
N-methyl-1-[5-(2,2,2-trifluoroethyl)-1,3-oxazol-4-yl]methanamine
CID 79139752
2-methyl-N-[[5-(2,2,2-trifluoroethyl)-1,3-oxazol-4-yl]methyl]propan-1-amine
CID 79144646
2-methoxy-N-[[5-(2,2,2-trifluoroethyl)-1,3-oxazol-4-yl]methyl]ethanamine
CID 79144836
N-[[5-(2,2,2-trifluoroethyl)-1,3-oxazol-4-yl]methyl]cyclopropanamine
CID 79144897

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluoro-4-phosphanylpiperidin-1-yl)-2-(4-methyl-1,3-oxazol-5-yl)ethanamine?
The IUPAC name of 2-(4-fluoro-4-phosphanylpiperidin-1-yl)-2-(4-methyl-1,3-oxazol-5-yl)ethanamine (CID 134404958) is 2-(4-fluoro-4-phosphanylpiperidin-1-yl)-2-(4-methyl-1,3-oxazol-5-yl)ethanamine.
What is the SMILES notation for 2-(4-fluoro-4-phosphanylpiperidin-1-yl)-2-(4-methyl-1,3-oxazol-5-yl)ethanamine?
The canonical SMILES for 2-(4-fluoro-4-phosphanylpiperidin-1-yl)-2-(4-methyl-1,3-oxazol-5-yl)ethanamine is Cc1ncoc1C(CN)N1CCC(F)(P)CC1.
What is the InChIKey of 2-(4-fluoro-4-phosphanylpiperidin-1-yl)-2-(4-methyl-1,3-oxazol-5-yl)ethanamine?
The InChIKey is FKTNPWIGLVNNPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19FN3OP/c1-8-10(16-7-14-8)9(6-13)15-4-2-11(12,17)3-5-15/h7,9H,2-6,13,17H2,1H3.
What are the key properties of 2-(4-fluoro-4-phosphanylpiperidin-1-yl)-2-(4-methyl-1,3-oxazol-5-yl)ethanamine?
2-(4-fluoro-4-phosphanylpiperidin-1-yl)-2-(4-methyl-1,3-oxazol-5-yl)ethanamine has a molecular weight of 259.26 g/mol, XLogP of 1.62, 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-phosphanylpiperidin-1-yl)-2-(4-methyl-1,3-oxazol-5-yl)ethanamine is sourced from PubChem (CID 134404958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).