4-[3-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenoxy]cyclobutyl]morpholine

C20H30BNO4 — CID 168984962

IUPAC4-[3-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenoxy]cyclobutyl]morpholine
SMILESCC1(C)OB(c2ccc(OC3CC(N4CCOCC4)C3)cc2)OC1(C)C
InChIInChI=1S/C20H30BNO4/c1-19(2)20(3,4)26-21(25-19)15-5-7-17(8-6-15)24-18-13-16(14-18)22-9-11-23-12-10-22/h5-8,16,18H,9-14H2,1-4H3
InChIKeyWWUKSLDEAFMWDZ-UHFFFAOYSA-N
MW359.28 g/mol
LogP2.23
Rot. Bonds4

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

4-[3-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenoxy]cyclobutyl]morpholine (PubChem CID 168984962) has the molecular formula C20H30BNO4 and a molecular weight of 359.28 g/mol. Its IUPAC name is 4-[3-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenoxy]cyclobutyl]morpholine.

Molecular Properties

Compound Name4-[3-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenoxy]cyclobutyl]morpholine
PubChem CID168984962
Molecular FormulaC20H30BNO4
Molecular Weight359.28 g/mol
Exact Mass359.23
IUPAC Name4-[3-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenoxy]cyclobutyl]morpholine
SMILESCC1(C)OB(c2ccc(OC3CC(N4CCOCC4)C3)cc2)OC1(C)C
InChIInChI=1S/C20H30BNO4/c1-19(2)20(3,4)26-21(25-19)15-5-7-17(8-6-15)24-18-13-16(14-18)22-9-11-23-12-10-22/h5-8,16,18H,9-14H2,1-4H3
InChIKeyWWUKSLDEAFMWDZ-UHFFFAOYSA-N
XLogP2.23
TPSA40.16 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.28
LogP ≤ 52.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 4-[3-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenoxy]cyclobutyl]morpholine with MolForge

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

Launch Full Analysis

Related Compounds

4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]morpholine
CID 2795361
2-methyl-1-[4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenoxy]piperidin-1-yl]propan-1-one
CID 162677583
2-(6-cyclopropyloxynaphthalen-2-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 131440071
4,4,5,5-tetramethyl-2-[3-(oxan-4-yloxy)phenyl]-1,3,2-dioxaborolane
CID 130161711
4,4,5,5-tetramethyl-2-[4-(oxan-4-yl)phenyl]-1,3,2-dioxaborolane
CID 67249753
2-[4-[1,1-bis[4-(oxan-2-yloxy)phenyl]ethyl]phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 59724363
3-methyl-4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]morpholine
CID 166093297
ethane;4-methoxy-1-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]piperidine
CID 144637519
1-[2,6-dimethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-4-(oxan-4-yl)piperazine
CID 175297799
2-[4-[[(3aS)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]oxy]phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;ethane
CID 142556261
1-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]piperidine
CID 4961250
dimethyl 4-[3-[[2-methyl-1-[1-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]piperidin-4-yl]propyl]amino]cyclobutyl]oxybenzene-1,2-dicarboxylate
CID 153486057

Frequently Asked Questions

What is the IUPAC name of 4-[3-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenoxy]cyclobutyl]morpholine?
The IUPAC name of 4-[3-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenoxy]cyclobutyl]morpholine (CID 168984962) is 4-[3-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenoxy]cyclobutyl]morpholine.
What is the SMILES notation for 4-[3-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenoxy]cyclobutyl]morpholine?
The canonical SMILES for 4-[3-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenoxy]cyclobutyl]morpholine is CC1(C)OB(c2ccc(OC3CC(N4CCOCC4)C3)cc2)OC1(C)C.
What is the InChIKey of 4-[3-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenoxy]cyclobutyl]morpholine?
The InChIKey is WWUKSLDEAFMWDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30BNO4/c1-19(2)20(3,4)26-21(25-19)15-5-7-17(8-6-15)24-18-13-16(14-18)22-9-11-23-12-10-22/h5-8,16,18H,9-14H2,1-4H3.
What are the key properties of 4-[3-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenoxy]cyclobutyl]morpholine?
4-[3-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenoxy]cyclobutyl]morpholine has a molecular weight of 359.28 g/mol, XLogP of 2.23, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenoxy]cyclobutyl]morpholine is sourced from PubChem (CID 168984962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).