1-[(2R)-4-[3-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]morpholin-2-yl]-N,N-dimethylmethanamine

C18H29BFN3O3 — CID 125130337

IUPAC1-[(2R)-4-[3-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]morpholin-2-yl]-N,N-dimethylmethanamine
SMILESCN(C)C[C@@H]1CN(c2nccc(B3OC(C)(C)C(C)(C)O3)c2F)CCO1
InChIInChI=1S/C18H29BFN3O3/c1-17(2)18(3,4)26-19(25-17)14-7-8-21-16(15(14)20)23-9-10-24-13(12-23)11-22(5)6/h7-8,13H,9-12H2,1-6H3/t13-/m1/s1
InChIKeyCXYGJHCVTRSTIC-CYBMUJFWSA-N
MW365.26 g/mol
LogP1.29
Rot. Bonds4

About 1-[(2R)-4-[3-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]morpholin-2-yl]-N,N-dimethylmethanamine

1-[(2R)-4-[3-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]morpholin-2-yl]-N,N-dimethylmethanamine (PubChem CID 125130337) has the molecular formula C18H29BFN3O3 and a molecular weight of 365.26 g/mol. Its IUPAC name is 1-[(2R)-4-[3-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]morpholin-2-yl]-N,N-dimethylmethanamine.

Molecular Properties

Compound Name1-[(2R)-4-[3-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]morpholin-2-yl]-N,N-dimethylmethanamine
PubChem CID125130337
Molecular FormulaC18H29BFN3O3
Molecular Weight365.26 g/mol
Exact Mass365.23
IUPAC Name1-[(2R)-4-[3-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]morpholin-2-yl]-N,N-dimethylmethanamine
SMILESCN(C)C[C@@H]1CN(c2nccc(B3OC(C)(C)C(C)(C)O3)c2F)CCO1
InChIInChI=1S/C18H29BFN3O3/c1-17(2)18(3,4)26-19(25-17)14-7-8-21-16(15(14)20)23-9-10-24-13(12-23)11-22(5)6/h7-8,13H,9-12H2,1-6H3/t13-/m1/s1
InChIKeyCXYGJHCVTRSTIC-CYBMUJFWSA-N
XLogP1.29
TPSA47.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.26
LogP ≤ 51.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[(2R)-4-[3-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]morpholin-2-yl]-N,N-dimethylmethanamine?
The IUPAC name of 1-[(2R)-4-[3-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]morpholin-2-yl]-N,N-dimethylmethanamine (CID 125130337) is 1-[(2R)-4-[3-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]morpholin-2-yl]-N,N-dimethylmethanamine.
What is the SMILES notation for 1-[(2R)-4-[3-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]morpholin-2-yl]-N,N-dimethylmethanamine?
The canonical SMILES for 1-[(2R)-4-[3-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]morpholin-2-yl]-N,N-dimethylmethanamine is CN(C)C[C@@H]1CN(c2nccc(B3OC(C)(C)C(C)(C)O3)c2F)CCO1.
What is the InChIKey of 1-[(2R)-4-[3-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]morpholin-2-yl]-N,N-dimethylmethanamine?
The InChIKey is CXYGJHCVTRSTIC-CYBMUJFWSA-N. The full InChI is InChI=1S/C18H29BFN3O3/c1-17(2)18(3,4)26-19(25-17)14-7-8-21-16(15(14)20)23-9-10-24-13(12-23)11-22(5)6/h7-8,13H,9-12H2,1-6H3/t13-/m1/s1.
What are the key properties of 1-[(2R)-4-[3-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]morpholin-2-yl]-N,N-dimethylmethanamine?
1-[(2R)-4-[3-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]morpholin-2-yl]-N,N-dimethylmethanamine has a molecular weight of 365.26 g/mol, XLogP of 1.29, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R)-4-[3-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]morpholin-2-yl]-N,N-dimethylmethanamine is sourced from PubChem (CID 125130337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).