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

C12H21FN3PS — CID 134404942

IUPAC2-(4-fluoro-4-phosphanylpiperidin-1-yl)-N-methyl-2-(2-methyl-1,3-thiazol-5-yl)ethanamine
SMILESCNCC(c1cnc(C)s1)N1CCC(F)(P)CC1
InChIInChI=1S/C12H21FN3PS/c1-9-15-8-11(18-9)10(7-14-2)16-5-3-12(13,17)4-6-16/h8,10,14H,3-7,17H2,1-2H3
InChIKeyHAZZXVSYXARAGQ-UHFFFAOYSA-N
MW289.36 g/mol
LogP2.35
Rot. Bonds4

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

2-(4-fluoro-4-phosphanylpiperidin-1-yl)-N-methyl-2-(2-methyl-1,3-thiazol-5-yl)ethanamine (PubChem CID 134404942) has the molecular formula C12H21FN3PS and a molecular weight of 289.36 g/mol. Its IUPAC name is 2-(4-fluoro-4-phosphanylpiperidin-1-yl)-N-methyl-2-(2-methyl-1,3-thiazol-5-yl)ethanamine.

Molecular Properties

Compound Name2-(4-fluoro-4-phosphanylpiperidin-1-yl)-N-methyl-2-(2-methyl-1,3-thiazol-5-yl)ethanamine
PubChem CID134404942
Molecular FormulaC12H21FN3PS
Molecular Weight289.36 g/mol
Exact Mass289.12
IUPAC Name2-(4-fluoro-4-phosphanylpiperidin-1-yl)-N-methyl-2-(2-methyl-1,3-thiazol-5-yl)ethanamine
SMILESCNCC(c1cnc(C)s1)N1CCC(F)(P)CC1
InChIInChI=1S/C12H21FN3PS/c1-9-15-8-11(18-9)10(7-14-2)16-5-3-12(13,17)4-6-16/h8,10,14H,3-7,17H2,1-2H3
InChIKeyHAZZXVSYXARAGQ-UHFFFAOYSA-N
XLogP2.35
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.36
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-(4-fluoro-4-phosphanylpiperidin-1-yl)-N-methyl-2-(2-methyl-1,3-thiazol-5-yl)ethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluoro-4-phosphanylpiperidin-1-yl)-N-methyl-2-(2-methyl-1,3-thiazol-5-yl)ethanamine?
The IUPAC name of 2-(4-fluoro-4-phosphanylpiperidin-1-yl)-N-methyl-2-(2-methyl-1,3-thiazol-5-yl)ethanamine (CID 134404942) is 2-(4-fluoro-4-phosphanylpiperidin-1-yl)-N-methyl-2-(2-methyl-1,3-thiazol-5-yl)ethanamine.
What is the SMILES notation for 2-(4-fluoro-4-phosphanylpiperidin-1-yl)-N-methyl-2-(2-methyl-1,3-thiazol-5-yl)ethanamine?
The canonical SMILES for 2-(4-fluoro-4-phosphanylpiperidin-1-yl)-N-methyl-2-(2-methyl-1,3-thiazol-5-yl)ethanamine is CNCC(c1cnc(C)s1)N1CCC(F)(P)CC1.
What is the InChIKey of 2-(4-fluoro-4-phosphanylpiperidin-1-yl)-N-methyl-2-(2-methyl-1,3-thiazol-5-yl)ethanamine?
The InChIKey is HAZZXVSYXARAGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21FN3PS/c1-9-15-8-11(18-9)10(7-14-2)16-5-3-12(13,17)4-6-16/h8,10,14H,3-7,17H2,1-2H3.
What are the key properties of 2-(4-fluoro-4-phosphanylpiperidin-1-yl)-N-methyl-2-(2-methyl-1,3-thiazol-5-yl)ethanamine?
2-(4-fluoro-4-phosphanylpiperidin-1-yl)-N-methyl-2-(2-methyl-1,3-thiazol-5-yl)ethanamine has a molecular weight of 289.36 g/mol, XLogP of 2.35, 4 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)-N-methyl-2-(2-methyl-1,3-thiazol-5-yl)ethanamine is sourced from PubChem (CID 134404942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).