morpholin-4-yl-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]methanol

C16H25BN2O4 — CID 144636722

IUPACmorpholin-4-yl-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]methanol
SMILESCC1(C)OB(c2ccc(C(O)N3CCOCC3)nc2)OC1(C)C
InChIInChI=1S/C16H25BN2O4/c1-15(2)16(3,4)23-17(22-15)12-5-6-13(18-11-12)14(20)19-7-9-21-10-8-19/h5-6,11,14,20H,7-10H2,1-4H3
InChIKeyXYVBNWBUCNNGSO-UHFFFAOYSA-N
MW320.20 g/mol
LogP0.70
Rot. Bonds3

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

morpholin-4-yl-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]methanol (PubChem CID 144636722) has the molecular formula C16H25BN2O4 and a molecular weight of 320.20 g/mol. Its IUPAC name is morpholin-4-yl-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]methanol.

Molecular Properties

Compound Namemorpholin-4-yl-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]methanol
PubChem CID144636722
Molecular FormulaC16H25BN2O4
Molecular Weight320.20 g/mol
Exact Mass320.19
IUPAC Namemorpholin-4-yl-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]methanol
SMILESCC1(C)OB(c2ccc(C(O)N3CCOCC3)nc2)OC1(C)C
InChIInChI=1S/C16H25BN2O4/c1-15(2)16(3,4)23-17(22-15)12-5-6-13(18-11-12)14(20)19-7-9-21-10-8-19/h5-6,11,14,20H,7-10H2,1-4H3
InChIKeyXYVBNWBUCNNGSO-UHFFFAOYSA-N
XLogP0.70
TPSA64.05 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.20
LogP ≤ 50.70
H-Bond Donors ≤ 51
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 morpholin-4-yl-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]methanol?
The IUPAC name of morpholin-4-yl-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]methanol (CID 144636722) is morpholin-4-yl-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]methanol.
What is the SMILES notation for morpholin-4-yl-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]methanol?
The canonical SMILES for morpholin-4-yl-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]methanol is CC1(C)OB(c2ccc(C(O)N3CCOCC3)nc2)OC1(C)C.
What is the InChIKey of morpholin-4-yl-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]methanol?
The InChIKey is XYVBNWBUCNNGSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25BN2O4/c1-15(2)16(3,4)23-17(22-15)12-5-6-13(18-11-12)14(20)19-7-9-21-10-8-19/h5-6,11,14,20H,7-10H2,1-4H3.
What are the key properties of morpholin-4-yl-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]methanol?
morpholin-4-yl-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]methanol has a molecular weight of 320.20 g/mol, XLogP of 0.70, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for morpholin-4-yl-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]methanol is sourced from PubChem (CID 144636722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).