1-piperidin-1-yl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)butan-1-one

C15H28BNO3 — CID 163343035

IUPAC1-piperidin-1-yl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)butan-1-one
SMILESCC1(C)OB(CCCC(=O)N2CCCCC2)OC1(C)C
InChIInChI=1S/C15H28BNO3/c1-14(2)15(3,4)20-16(19-14)10-8-9-13(18)17-11-6-5-7-12-17/h5-12H2,1-4H3
InChIKeyPOLOBFLXSJZVHY-UHFFFAOYSA-N
MW281.20 g/mol
LogP2.87
Rot. Bonds4

About 1-piperidin-1-yl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)butan-1-one

1-piperidin-1-yl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)butan-1-one (PubChem CID 163343035) has the molecular formula C15H28BNO3 and a molecular weight of 281.20 g/mol. Its IUPAC name is 1-piperidin-1-yl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)butan-1-one.

Molecular Properties

Compound Name1-piperidin-1-yl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)butan-1-one
PubChem CID163343035
Molecular FormulaC15H28BNO3
Molecular Weight281.20 g/mol
Exact Mass281.22
IUPAC Name1-piperidin-1-yl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)butan-1-one
SMILESCC1(C)OB(CCCC(=O)N2CCCCC2)OC1(C)C
InChIInChI=1S/C15H28BNO3/c1-14(2)15(3,4)20-16(19-14)10-8-9-13(18)17-11-6-5-7-12-17/h5-12H2,1-4H3
InChIKeyPOLOBFLXSJZVHY-UHFFFAOYSA-N
XLogP2.87
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.20
LogP ≤ 52.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1,12-bis(azonan-1-yl)dodecane-1,12-dione
CID 20752244
1,4-bis(azepan-1-yl)butane-1,4-dione
CID 5206430
N-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)butanamide
CID 163343032
1-pyrrolidin-1-ylheptadecan-1-one
CID 574649
8-(azonan-1-yl)-8-oxooctanamide
CID 54569305
7-methyl-1-piperidin-1-yloctane-1,6-dione
CID 166128163
5-hydroxy-5-methyl-1-pyrrolidin-1-ylhexan-1-one
CID 170029920
N,N-dimethyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pentanamide
CID 90319311
15-methyl-1-piperidin-1-ylhexadecan-1-one
CID 57076776
1-(azepan-1-yl)-3-hydroxypropan-1-one
CID 82111325
1-(12-oxo-12-piperidin-1-yldodecanoyl)piperidine-4,4-dicarboxylic acid
CID 86346056
6-(azepan-1-yl)-6-oxohexanamide;dodecane
CID 174982677

Frequently Asked Questions

What is the IUPAC name of 1-piperidin-1-yl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)butan-1-one?
The IUPAC name of 1-piperidin-1-yl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)butan-1-one (CID 163343035) is 1-piperidin-1-yl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)butan-1-one.
What is the SMILES notation for 1-piperidin-1-yl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)butan-1-one?
The canonical SMILES for 1-piperidin-1-yl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)butan-1-one is CC1(C)OB(CCCC(=O)N2CCCCC2)OC1(C)C.
What is the InChIKey of 1-piperidin-1-yl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)butan-1-one?
The InChIKey is POLOBFLXSJZVHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28BNO3/c1-14(2)15(3,4)20-16(19-14)10-8-9-13(18)17-11-6-5-7-12-17/h5-12H2,1-4H3.
What are the key properties of 1-piperidin-1-yl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)butan-1-one?
1-piperidin-1-yl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)butan-1-one has a molecular weight of 281.20 g/mol, XLogP of 2.87, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-piperidin-1-yl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)butan-1-one is sourced from PubChem (CID 163343035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).