(4-methoxy-4-methoxycarbonylpiperidin-1-yl)-methylborinic acid

C9H18BNO4 — CID 23548999

IUPAC(4-methoxy-4-methoxycarbonylpiperidin-1-yl)-methylborinic acid
SMILESCOC(=O)C1(OC)CCN(B(C)O)CC1
InChIInChI=1S/C9H18BNO4/c1-10(13)11-6-4-9(15-3,5-7-11)8(12)14-2/h13H,4-7H2,1-3H3
InChIKeyOKVNKJZHGCYTBP-UHFFFAOYSA-N
MW215.06 g/mol
LogP-0.25
Rot. Bonds3

About (4-methoxy-4-methoxycarbonylpiperidin-1-yl)-methylborinic acid

(4-methoxy-4-methoxycarbonylpiperidin-1-yl)-methylborinic acid (PubChem CID 23548999) has the molecular formula C9H18BNO4 and a molecular weight of 215.06 g/mol. Its IUPAC name is (4-methoxy-4-methoxycarbonylpiperidin-1-yl)-methylborinic acid.

Molecular Properties

Compound Name(4-methoxy-4-methoxycarbonylpiperidin-1-yl)-methylborinic acid
PubChem CID23548999
Molecular FormulaC9H18BNO4
Molecular Weight215.06 g/mol
Exact Mass215.13
IUPAC Name(4-methoxy-4-methoxycarbonylpiperidin-1-yl)-methylborinic acid
SMILESCOC(=O)C1(OC)CCN(B(C)O)CC1
InChIInChI=1S/C9H18BNO4/c1-10(13)11-6-4-9(15-3,5-7-11)8(12)14-2/h13H,4-7H2,1-3H3
InChIKeyOKVNKJZHGCYTBP-UHFFFAOYSA-N
XLogP-0.25
TPSA59.00 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.06
LogP ≤ 5-0.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

methyl (3S)-3-methoxyoxolane-3-carboxylate
CID 125113070
methyl 3-hydroxy-1-methoxycyclobutane-1-carboxylate
CID 137347052
azetidin-1-yl(methyl)borinic acid
CID 59986917
methyl 3-methoxypiperidine-3-carboxylate
CID 165438540
4-methoxy-1-methylpiperidine-4-carboxamide
CID 89303192
methyl 3-(hydroxymethyl)-1-methoxycyclobutane-1-carboxylate
CID 178200449
tert-butyl 1-methoxycyclopropane-1-carboxylate
CID 156662901
methyl (3S)-3-methoxy-5-methylpiperidine-3-carboxylate
CID 178133237
1-O-benzyl 3-O-methyl 3-methoxypyrrolidine-1,3-dicarboxylate
CID 58371984
dimethyl 4-aminopiperidine-1,4-dicarboxylate
CID 131627153
1-tert-butyl-4-methoxypiperidine-4-carboxylic acid
CID 105468787
N-[(3R)-3-formyl-1-[hydroxy(methyl)boranyl]pyrrolidin-3-yl]-methylboronamidic acid
CID 59671666

Frequently Asked Questions

What is the IUPAC name of (4-methoxy-4-methoxycarbonylpiperidin-1-yl)-methylborinic acid?
The IUPAC name of (4-methoxy-4-methoxycarbonylpiperidin-1-yl)-methylborinic acid (CID 23548999) is (4-methoxy-4-methoxycarbonylpiperidin-1-yl)-methylborinic acid.
What is the SMILES notation for (4-methoxy-4-methoxycarbonylpiperidin-1-yl)-methylborinic acid?
The canonical SMILES for (4-methoxy-4-methoxycarbonylpiperidin-1-yl)-methylborinic acid is COC(=O)C1(OC)CCN(B(C)O)CC1.
What is the InChIKey of (4-methoxy-4-methoxycarbonylpiperidin-1-yl)-methylborinic acid?
The InChIKey is OKVNKJZHGCYTBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18BNO4/c1-10(13)11-6-4-9(15-3,5-7-11)8(12)14-2/h13H,4-7H2,1-3H3.
What are the key properties of (4-methoxy-4-methoxycarbonylpiperidin-1-yl)-methylborinic acid?
(4-methoxy-4-methoxycarbonylpiperidin-1-yl)-methylborinic acid has a molecular weight of 215.06 g/mol, XLogP of -0.25, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methoxy-4-methoxycarbonylpiperidin-1-yl)-methylborinic acid is sourced from PubChem (CID 23548999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).