chloro-bis[2-(2,2,6,6-tetramethylpiperidin-1-yl)phenyl]borane

C30H44BClN2 — CID 132966148

IUPACchloro-bis[2-(2,2,6,6-tetramethylpiperidin-1-yl)phenyl]borane
SMILESCC1(C)CCCC(C)(C)N1c1ccccc1B(Cl)c1ccccc1N1C(C)(C)CCCC1(C)C
InChIInChI=1S/C30H44BClN2/c1-27(2)19-13-20-28(3,4)33(27)25-17-11-9-15-23(25)31(32)24-16-10-12-18-26(24)34-29(5,6)21-14-22-30(34,7)8/h9-12,15-18H,13-14,19-22H2,1-8H3
InChIKeyGUXPWNJJIOIDGT-UHFFFAOYSA-N
MW478.96 g/mol
LogP7.13
Rot. Bonds4

About chloro-bis[2-(2,2,6,6-tetramethylpiperidin-1-yl)phenyl]borane

chloro-bis[2-(2,2,6,6-tetramethylpiperidin-1-yl)phenyl]borane (PubChem CID 132966148) has the molecular formula C30H44BClN2 and a molecular weight of 478.96 g/mol. Its IUPAC name is chloro-bis[2-(2,2,6,6-tetramethylpiperidin-1-yl)phenyl]borane.

Molecular Properties

Compound Namechloro-bis[2-(2,2,6,6-tetramethylpiperidin-1-yl)phenyl]borane
PubChem CID132966148
Molecular FormulaC30H44BClN2
Molecular Weight478.96 g/mol
Exact Mass478.33
IUPAC Namechloro-bis[2-(2,2,6,6-tetramethylpiperidin-1-yl)phenyl]borane
SMILESCC1(C)CCCC(C)(C)N1c1ccccc1B(Cl)c1ccccc1N1C(C)(C)CCCC1(C)C
InChIInChI=1S/C30H44BClN2/c1-27(2)19-13-20-28(3,4)33(27)25-17-11-9-15-23(25)31(32)24-16-10-12-18-26(24)34-29(5,6)21-14-22-30(34,7)8/h9-12,15-18H,13-14,19-22H2,1-8H3
InChIKeyGUXPWNJJIOIDGT-UHFFFAOYSA-N
XLogP7.13
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500478.96
LogP ≤ 57.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

chloro-(2,3,4,5,6-pentafluorophenyl)-[2-(2,2,6,6-tetramethylpiperidin-1-yl)phenyl]borane
CID 132507174
sodium;hydride;2,2,6,6-tetramethyl-1-phenylpiperidine
CID 175329536
diphenyl-[2-[(2,2,6,6-tetramethylpiperidin-1-yl)methyl]phenyl]borane
CID 102024987
2,2,6,6-tetramethyl-1-thiophen-2-ylpiperidine
CID 138708345
2,2,6,6-tetramethyl-1-(4-methylphenyl)piperidine
CID 11831278
1-benzyl-2,2-dimethylpyrrolidine
CID 10954329
chloro-[5-[chloro-(2,2,6,6-tetramethylpiperidin-1-yl)boranyl]thiophen-2-yl]-(2,2,6,6-tetramethylpiperidin-1-yl)borane
CID 12973671
2-(4-tert-butylphenyl)-4-(2,2,6,6-tetramethylpiperidin-1-yl)quinoline;hydrobromide
CID 45050906
1-(2-hydroxyphenyl)-2,2,6,6-tetramethylpiperidin-4-ol
CID 161461373
2-chloro-4,6-bis(2,2,6,6-tetramethylpiperidin-1-yl)-1,3,5-triazine
CID 19991761
CID 162411162
CID 162411162
3a-methyl-2,3,4,5-tetrahydro-1H-pyrrolo[1,2-a]quinoline
CID 10655190

Frequently Asked Questions

What is the IUPAC name of chloro-bis[2-(2,2,6,6-tetramethylpiperidin-1-yl)phenyl]borane?
The IUPAC name of chloro-bis[2-(2,2,6,6-tetramethylpiperidin-1-yl)phenyl]borane (CID 132966148) is chloro-bis[2-(2,2,6,6-tetramethylpiperidin-1-yl)phenyl]borane.
What is the SMILES notation for chloro-bis[2-(2,2,6,6-tetramethylpiperidin-1-yl)phenyl]borane?
The canonical SMILES for chloro-bis[2-(2,2,6,6-tetramethylpiperidin-1-yl)phenyl]borane is CC1(C)CCCC(C)(C)N1c1ccccc1B(Cl)c1ccccc1N1C(C)(C)CCCC1(C)C.
What is the InChIKey of chloro-bis[2-(2,2,6,6-tetramethylpiperidin-1-yl)phenyl]borane?
The InChIKey is GUXPWNJJIOIDGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H44BClN2/c1-27(2)19-13-20-28(3,4)33(27)25-17-11-9-15-23(25)31(32)24-16-10-12-18-26(24)34-29(5,6)21-14-22-30(34,7)8/h9-12,15-18H,13-14,19-22H2,1-8H3.
What are the key properties of chloro-bis[2-(2,2,6,6-tetramethylpiperidin-1-yl)phenyl]borane?
chloro-bis[2-(2,2,6,6-tetramethylpiperidin-1-yl)phenyl]borane has a molecular weight of 478.96 g/mol, XLogP of 7.13, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for chloro-bis[2-(2,2,6,6-tetramethylpiperidin-1-yl)phenyl]borane is sourced from PubChem (CID 132966148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).