[(3R)-3-ethylpiperidin-1-yl]-methylborinic acid

C8H18BNO — CID 59880832

IUPAC[(3R)-3-ethylpiperidin-1-yl]-methylborinic acid
SMILESCC[C@@H]1CCCN(B(C)O)C1
InChIInChI=1S/C8H18BNO/c1-3-8-5-4-6-10(7-8)9(2)11/h8,11H,3-7H2,1-2H3/t8-/m1/s1
InChIKeyZFJPBPNZLHOGCL-MRVPVSSYSA-N
MW155.05 g/mol
LogP1.22
Rot. Bonds2

About [(3R)-3-ethylpiperidin-1-yl]-methylborinic acid

[(3R)-3-ethylpiperidin-1-yl]-methylborinic acid (PubChem CID 59880832) has the molecular formula C8H18BNO and a molecular weight of 155.05 g/mol. Its IUPAC name is [(3R)-3-ethylpiperidin-1-yl]-methylborinic acid.

Molecular Properties

Compound Name[(3R)-3-ethylpiperidin-1-yl]-methylborinic acid
PubChem CID59880832
Molecular FormulaC8H18BNO
Molecular Weight155.05 g/mol
Exact Mass155.15
IUPAC Name[(3R)-3-ethylpiperidin-1-yl]-methylborinic acid
SMILESCC[C@@H]1CCCN(B(C)O)C1
InChIInChI=1S/C8H18BNO/c1-3-8-5-4-6-10(7-8)9(2)11/h8,11H,3-7H2,1-2H3/t8-/m1/s1
InChIKeyZFJPBPNZLHOGCL-MRVPVSSYSA-N
XLogP1.22
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.05
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

[(3R)-3-(1H-imidazol-5-ylmethyl)piperidin-1-yl]-methylborinic acid
CID 59880709
ethane;3-ethyl-1-methylpiperidine
CID 142833851
(3-aminopyrrolidin-1-yl)-methylborinic acid
CID 21035713
azetidin-1-yl(methyl)borinic acid
CID 59986917
methyl-[(3R)-3-[(N-methylsulfonylanilino)methyl]piperidin-1-yl]borinic acid
CID 59991008
1-cyclopropyl-3-ethylpiperidine
CID 76560892
1-(cyclobutylmethyl)-3-ethylpiperidine
CID 143174975
cyclopropyl-[(3R)-3-ethylpiperidin-1-yl]methanone
CID 176933785
[5-bromo-2-(3-ethylpiperidin-1-yl)phenyl]methanol
CID 114061365
ethane;[(3R)-3-(imidazol-1-ylmethyl)piperidin-1-yl]-methylborinic acid;methyl-[(3R)-3-[(4-methylimidazol-1-yl)methyl]piperidin-1-yl]borinic acid
CID 159186761
3-ethyl-N-methylpiperidine-1-carbothioamide
CID 115580649
2-[(3R)-3-ethylpiperidin-1-yl]ethanamine
CID 93187820

Frequently Asked Questions

What is the IUPAC name of [(3R)-3-ethylpiperidin-1-yl]-methylborinic acid?
The IUPAC name of [(3R)-3-ethylpiperidin-1-yl]-methylborinic acid (CID 59880832) is [(3R)-3-ethylpiperidin-1-yl]-methylborinic acid.
What is the SMILES notation for [(3R)-3-ethylpiperidin-1-yl]-methylborinic acid?
The canonical SMILES for [(3R)-3-ethylpiperidin-1-yl]-methylborinic acid is CC[C@@H]1CCCN(B(C)O)C1.
What is the InChIKey of [(3R)-3-ethylpiperidin-1-yl]-methylborinic acid?
The InChIKey is ZFJPBPNZLHOGCL-MRVPVSSYSA-N. The full InChI is InChI=1S/C8H18BNO/c1-3-8-5-4-6-10(7-8)9(2)11/h8,11H,3-7H2,1-2H3/t8-/m1/s1.
What are the key properties of [(3R)-3-ethylpiperidin-1-yl]-methylborinic acid?
[(3R)-3-ethylpiperidin-1-yl]-methylborinic acid has a molecular weight of 155.05 g/mol, XLogP of 1.22, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R)-3-ethylpiperidin-1-yl]-methylborinic acid is sourced from PubChem (CID 59880832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).