4-[3-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]morpholine

C16H25BN2O3 — CID 44755180

IUPAC4-[3-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]morpholine
SMILESCc1cc(B2OC(C)(C)C(C)(C)O2)cnc1N1CCOCC1
InChIInChI=1S/C16H25BN2O3/c1-12-10-13(17-21-15(2,3)16(4,5)22-17)11-18-14(12)19-6-8-20-9-7-19/h10-11H,6-9H2,1-5H3
InChIKeyDGVAEMVUOIETDY-UHFFFAOYSA-N
MW304.20 g/mol
LogP1.53
Rot. Bonds2

About 4-[3-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]morpholine

4-[3-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]morpholine (PubChem CID 44755180) has the molecular formula C16H25BN2O3 and a molecular weight of 304.20 g/mol. Its IUPAC name is 4-[3-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]morpholine.

Molecular Properties

Compound Name4-[3-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]morpholine
PubChem CID44755180
Molecular FormulaC16H25BN2O3
Molecular Weight304.20 g/mol
Exact Mass304.20
IUPAC Name4-[3-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]morpholine
SMILESCc1cc(B2OC(C)(C)C(C)(C)O2)cnc1N1CCOCC1
InChIInChI=1S/C16H25BN2O3/c1-12-10-13(17-21-15(2,3)16(4,5)22-17)11-18-14(12)19-6-8-20-9-7-19/h10-11H,6-9H2,1-5H3
InChIKeyDGVAEMVUOIETDY-UHFFFAOYSA-N
XLogP1.53
TPSA43.82 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.20
LogP ≤ 51.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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 4-[3-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]morpholine?
The IUPAC name of 4-[3-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]morpholine (CID 44755180) is 4-[3-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]morpholine.
What is the SMILES notation for 4-[3-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]morpholine?
The canonical SMILES for 4-[3-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]morpholine is Cc1cc(B2OC(C)(C)C(C)(C)O2)cnc1N1CCOCC1.
What is the InChIKey of 4-[3-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]morpholine?
The InChIKey is DGVAEMVUOIETDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25BN2O3/c1-12-10-13(17-21-15(2,3)16(4,5)22-17)11-18-14(12)19-6-8-20-9-7-19/h10-11H,6-9H2,1-5H3.
What are the key properties of 4-[3-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]morpholine?
4-[3-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]morpholine has a molecular weight of 304.20 g/mol, XLogP of 1.53, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]morpholine is sourced from PubChem (CID 44755180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).