[(2S)-2-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl]-methylborinic acid

C14H20BNO2 — CID 58632796

IUPAC[(2S)-2-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl]-methylborinic acid
SMILESCB(O)N1CCC2(CC1)c1ccccc1C[C@@H]2O
InChIInChI=1S/C14H20BNO2/c1-15(18)16-8-6-14(7-9-16)12-5-3-2-4-11(12)10-13(14)17/h2-5,13,17-18H,6-10H2,1H3/t13-/m0/s1
InChIKeyIRHXOQLQRJQMOV-ZDUSSCGKSA-N
MW245.13 g/mol
LogP1.05
Rot. Bonds1

About [(2S)-2-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl]-methylborinic acid

[(2S)-2-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl]-methylborinic acid (PubChem CID 58632796) has the molecular formula C14H20BNO2 and a molecular weight of 245.13 g/mol. Its IUPAC name is [(2S)-2-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl]-methylborinic acid.

Molecular Properties

Compound Name[(2S)-2-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl]-methylborinic acid
PubChem CID58632796
Molecular FormulaC14H20BNO2
Molecular Weight245.13 g/mol
Exact Mass245.16
IUPAC Name[(2S)-2-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl]-methylborinic acid
SMILESCB(O)N1CCC2(CC1)c1ccccc1C[C@@H]2O
InChIInChI=1S/C14H20BNO2/c1-15(18)16-8-6-14(7-9-16)12-5-3-2-4-11(12)10-13(14)17/h2-5,13,17-18H,6-10H2,1H3/t13-/m0/s1
InChIKeyIRHXOQLQRJQMOV-ZDUSSCGKSA-N
XLogP1.05
TPSA43.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.13
LogP ≤ 51.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

[4-(4-Fluorophenyl)-4-(hydroxymethyl)piperidin-1-yl]-methylborinic acid
CID 23570749
1'-(2-Propoxyethyl)-2,3-dihydrospiro[indene-1,4'-piperidin]-2-OL
CID 56894320
3-(2-hydroxy-2,3-dihydro-1'H-spiro[indene-1,4'-piperidin]-1'-yl)-N,N-dimethyl-1-propanesulfonamide
CID 56907595
(2S)-spiro[1,2-dihydroindene-3,4'-piperidine]-2-ol
CID 10868384
tert-Butyl (2S)-2-hydroxy-2,3-dihydrospiro[indene-1,4'-piperidine]-1'-carboxylate
CID 11748702
1-(3-Piperidinopropyl)-2-indanol
CID 12393827
1'-Methylspiro[1,2-dihydroindene-3,4'-piperidine]-2-ol
CID 18340603
1'-Methylspiro[1,2-dihydroindene-3,4'-piperidine]-1-ol
CID 18340604
tert-Butyl 2-hydroxy-2,3-dihydrospiro[indene-1,4'-piperidine]-1'-carboxylate
CID 18673577
2,3-Dihydrospiro[indene-1,4'-piperidin]-2-ol hydrochloride
CID 18673580
2,3-Dihydrospiro[indene-1,4'-piperidin]-2-ol
CID 18673581
1-(2-piperidin-1-ylethyl)-2,3-dihydro-1H-inden-2-ol
CID 20388041

Frequently Asked Questions

What is the IUPAC name of [(2S)-2-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl]-methylborinic acid?
The IUPAC name of [(2S)-2-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl]-methylborinic acid (CID 58632796) is [(2S)-2-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl]-methylborinic acid.
What is the SMILES notation for [(2S)-2-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl]-methylborinic acid?
The canonical SMILES for [(2S)-2-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl]-methylborinic acid is CB(O)N1CCC2(CC1)c1ccccc1C[C@@H]2O.
What is the InChIKey of [(2S)-2-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl]-methylborinic acid?
The InChIKey is IRHXOQLQRJQMOV-ZDUSSCGKSA-N. The full InChI is InChI=1S/C14H20BNO2/c1-15(18)16-8-6-14(7-9-16)12-5-3-2-4-11(12)10-13(14)17/h2-5,13,17-18H,6-10H2,1H3/t13-/m0/s1.
What are the key properties of [(2S)-2-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl]-methylborinic acid?
[(2S)-2-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl]-methylborinic acid has a molecular weight of 245.13 g/mol, XLogP of 1.05, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-2-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl]-methylborinic acid is sourced from PubChem (CID 58632796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).