4-[5-(4,4,5,5-tetramethyloxaborolan-2-yl)-2-pyridinyl]morpholine

C16H25BN2O2 — CID 90745554

IUPAC4-[5-(4,4,5,5-tetramethyloxaborolan-2-yl)-2-pyridinyl]morpholine
SMILESCC1(C)CB(c2ccc(N3CCOCC3)nc2)OC1(C)C
InChIInChI=1S/C16H25BN2O2/c1-15(2)12-17(21-16(15,3)4)13-5-6-14(18-11-13)19-7-9-20-10-8-19/h5-6,11H,7-10,12H2,1-4H3
InChIKeyOVMMKWVRMJJUPC-UHFFFAOYSA-N
MW288.20 g/mol
LogP1.95
Rot. Bonds2

About 4-[5-(4,4,5,5-tetramethyloxaborolan-2-yl)-2-pyridinyl]morpholine

4-[5-(4,4,5,5-tetramethyloxaborolan-2-yl)-2-pyridinyl]morpholine (PubChem CID 90745554) has the molecular formula C16H25BN2O2 and a molecular weight of 288.20 g/mol. Its IUPAC name is 4-[5-(4,4,5,5-tetramethyloxaborolan-2-yl)-2-pyridinyl]morpholine.

Molecular Properties

Compound Name4-[5-(4,4,5,5-tetramethyloxaborolan-2-yl)-2-pyridinyl]morpholine
PubChem CID90745554
Molecular FormulaC16H25BN2O2
Molecular Weight288.20 g/mol
Exact Mass288.20
IUPAC Name4-[5-(4,4,5,5-tetramethyloxaborolan-2-yl)-2-pyridinyl]morpholine
SMILESCC1(C)CB(c2ccc(N3CCOCC3)nc2)OC1(C)C
InChIInChI=1S/C16H25BN2O2/c1-15(2)12-17(21-16(15,3)4)13-5-6-14(18-11-13)19-7-9-20-10-8-19/h5-6,11H,7-10,12H2,1-4H3
InChIKeyOVMMKWVRMJJUPC-UHFFFAOYSA-N
XLogP1.95
TPSA34.59 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.20
LogP ≤ 51.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

6-Morpholinonicotinonitrile
CID 2737021
2-(Morpholin-4-yl)pyridine-3-carbonitrile
CID 2763852
[2-(Morpholin-4-yl)pyridin-4-yl]methanamine
CID 7537568
2-Morpholinopyridine
CID 10964853
5-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-amine
CID 2756555
4-(5-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl)morpholine
CID 2795363
(2-(Morpholin-4-yl)pyridin-3-yl)methanamine
CID 16790303
2-(Piperazin-1-yl)pyridine-5-boronic acid, pinacol ester
CID 16217946
2-methoxy-1-[(5S)-2-pyridin-2-yl-2,7-diazaspiro[4.5]decan-7-yl]ethanone
CID 3234861
4-(5-(Trifluoromethyl)pyridin-2-yl)morpholine
CID 764917
(5-Methyl-6-morpholinopyridin-3-yl)boronic acid
CID 43819155
2-(4-Methylpiperazin-1-yl)pyridine-4-boronic acid, pinacol ester
CID 2769537

Frequently Asked Questions

What is the IUPAC name of 4-[5-(4,4,5,5-tetramethyloxaborolan-2-yl)-2-pyridinyl]morpholine?
The IUPAC name of 4-[5-(4,4,5,5-tetramethyloxaborolan-2-yl)-2-pyridinyl]morpholine (CID 90745554) is 4-[5-(4,4,5,5-tetramethyloxaborolan-2-yl)-2-pyridinyl]morpholine.
What is the SMILES notation for 4-[5-(4,4,5,5-tetramethyloxaborolan-2-yl)-2-pyridinyl]morpholine?
The canonical SMILES for 4-[5-(4,4,5,5-tetramethyloxaborolan-2-yl)-2-pyridinyl]morpholine is CC1(C)CB(c2ccc(N3CCOCC3)nc2)OC1(C)C.
What is the InChIKey of 4-[5-(4,4,5,5-tetramethyloxaborolan-2-yl)-2-pyridinyl]morpholine?
The InChIKey is OVMMKWVRMJJUPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25BN2O2/c1-15(2)12-17(21-16(15,3)4)13-5-6-14(18-11-13)19-7-9-20-10-8-19/h5-6,11H,7-10,12H2,1-4H3.
What are the key properties of 4-[5-(4,4,5,5-tetramethyloxaborolan-2-yl)-2-pyridinyl]morpholine?
4-[5-(4,4,5,5-tetramethyloxaborolan-2-yl)-2-pyridinyl]morpholine has a molecular weight of 288.20 g/mol, XLogP of 1.95, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(4,4,5,5-tetramethyloxaborolan-2-yl)-2-pyridinyl]morpholine is sourced from PubChem (CID 90745554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).