[(3R)-3-(1H-imidazol-5-ylmethyl)piperidin-1-yl]-methylborinic acid

C10H18BN3O — CID 59880709

IUPAC[(3R)-3-(1H-imidazol-5-ylmethyl)piperidin-1-yl]-methylborinic acid
SMILESCB(O)N1CCC[C@H](Cc2cnc[nH]2)C1
InChIInChI=1S/C10H18BN3O/c1-11(15)14-4-2-3-9(7-14)5-10-6-12-8-13-10/h6,8-9,15H,2-5,7H2,1H3,(H,12,13)/t9-/m1/s1
InChIKeyHABNCINVAQGVDS-SECBINFHSA-N
MW207.09 g/mol
LogP0.77
Rot. Bonds3

About [(3R)-3-(1H-imidazol-5-ylmethyl)piperidin-1-yl]-methylborinic acid

[(3R)-3-(1H-imidazol-5-ylmethyl)piperidin-1-yl]-methylborinic acid (PubChem CID 59880709) has the molecular formula C10H18BN3O and a molecular weight of 207.09 g/mol. Its IUPAC name is [(3R)-3-(1H-imidazol-5-ylmethyl)piperidin-1-yl]-methylborinic acid.

Molecular Properties

Compound Name[(3R)-3-(1H-imidazol-5-ylmethyl)piperidin-1-yl]-methylborinic acid
PubChem CID59880709
Molecular FormulaC10H18BN3O
Molecular Weight207.09 g/mol
Exact Mass207.15
IUPAC Name[(3R)-3-(1H-imidazol-5-ylmethyl)piperidin-1-yl]-methylborinic acid
SMILESCB(O)N1CCC[C@H](Cc2cnc[nH]2)C1
InChIInChI=1S/C10H18BN3O/c1-11(15)14-4-2-3-9(7-14)5-10-6-12-8-13-10/h6,8-9,15H,2-5,7H2,1H3,(H,12,13)/t9-/m1/s1
InChIKeyHABNCINVAQGVDS-SECBINFHSA-N
XLogP0.77
TPSA52.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.09
LogP ≤ 50.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze [(3R)-3-(1H-imidazol-5-ylmethyl)piperidin-1-yl]-methylborinic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(3S)-1-tert-butyl-3-(1H-imidazol-5-ylmethyl)piperidine
CID 59880780
4-(1H-imidazol-5-ylmethyl)-1-propan-2-ylpiperidine;dihydrobromide
CID 11210868
1-ethyl-4-(1H-imidazol-5-ylmethyl)piperidine
CID 11164099
5-[[(3aR,6aS)-1,2,3,3a,4,5,6,6a-octahydropentalen-2-yl]methyl]-1H-imidazole
CID 59976346
(3R)-3-(1H-imidazol-5-ylmethyl)piperidine;dihydrochloride
CID 169426845
4-(1H-imidazol-5-ylmethyl)piperidine
CID 3035842
5-(1,2,3,3a,4,5,6,6a-octahydropentalen-2-ylmethyl)-1H-imidazole;hydrochloride
CID 162333788
[(3S)-3-[(4-methoxycarbonylphenyl)methyl]piperidin-1-yl]-methylborinic acid
CID 171461160
(3S)-1-(1H-imidazol-5-ylmethyl)-3-[(4-methylsulfonyl-1H-pyrazol-5-yl)methyl]piperidine
CID 124980427
(3S)-3-(1H-imidazol-5-ylmethyl)-1-methyl-1,4-diazocane
CID 82395272
2-(1H-imidazol-5-yl)-1-(3-methylpiperidin-1-yl)ethanone
CID 110684132
1-benzyl-4-(1H-imidazol-5-ylmethyl)piperidine
CID 11327520

Frequently Asked Questions

What is the IUPAC name of [(3R)-3-(1H-imidazol-5-ylmethyl)piperidin-1-yl]-methylborinic acid?
The IUPAC name of [(3R)-3-(1H-imidazol-5-ylmethyl)piperidin-1-yl]-methylborinic acid (CID 59880709) is [(3R)-3-(1H-imidazol-5-ylmethyl)piperidin-1-yl]-methylborinic acid.
What is the SMILES notation for [(3R)-3-(1H-imidazol-5-ylmethyl)piperidin-1-yl]-methylborinic acid?
The canonical SMILES for [(3R)-3-(1H-imidazol-5-ylmethyl)piperidin-1-yl]-methylborinic acid is CB(O)N1CCC[C@H](Cc2cnc[nH]2)C1.
What is the InChIKey of [(3R)-3-(1H-imidazol-5-ylmethyl)piperidin-1-yl]-methylborinic acid?
The InChIKey is HABNCINVAQGVDS-SECBINFHSA-N. The full InChI is InChI=1S/C10H18BN3O/c1-11(15)14-4-2-3-9(7-14)5-10-6-12-8-13-10/h6,8-9,15H,2-5,7H2,1H3,(H,12,13)/t9-/m1/s1.
What are the key properties of [(3R)-3-(1H-imidazol-5-ylmethyl)piperidin-1-yl]-methylborinic acid?
[(3R)-3-(1H-imidazol-5-ylmethyl)piperidin-1-yl]-methylborinic acid has a molecular weight of 207.09 g/mol, XLogP of 0.77, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R)-3-(1H-imidazol-5-ylmethyl)piperidin-1-yl]-methylborinic acid is sourced from PubChem (CID 59880709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).