diphenyl-[2-[(2,2,6,6-tetramethylpiperidin-1-yl)methyl]phenyl]borane

C28H34BN — CID 102024987

IUPACdiphenyl-[2-[(2,2,6,6-tetramethylpiperidin-1-yl)methyl]phenyl]borane
SMILESCC1(C)CCCC(C)(C)N1Cc1ccccc1B(c1ccccc1)c1ccccc1
InChIInChI=1S/C28H34BN/c1-27(2)20-13-21-28(3,4)30(27)22-23-14-11-12-19-26(23)29(24-15-7-5-8-16-24)25-17-9-6-10-18-25/h5-12,14-19H,13,20-22H2,1-4H3
InChIKeySOOIKPKMMSAYJA-UHFFFAOYSA-N
MW395.40 g/mol
LogP4.75
Rot. Bonds5

About diphenyl-[2-[(2,2,6,6-tetramethylpiperidin-1-yl)methyl]phenyl]borane

diphenyl-[2-[(2,2,6,6-tetramethylpiperidin-1-yl)methyl]phenyl]borane (PubChem CID 102024987) has the molecular formula C28H34BN and a molecular weight of 395.40 g/mol. Its IUPAC name is diphenyl-[2-[(2,2,6,6-tetramethylpiperidin-1-yl)methyl]phenyl]borane.

Molecular Properties

Compound Namediphenyl-[2-[(2,2,6,6-tetramethylpiperidin-1-yl)methyl]phenyl]borane
PubChem CID102024987
Molecular FormulaC28H34BN
Molecular Weight395.40 g/mol
Exact Mass395.28
IUPAC Namediphenyl-[2-[(2,2,6,6-tetramethylpiperidin-1-yl)methyl]phenyl]borane
SMILESCC1(C)CCCC(C)(C)N1Cc1ccccc1B(c1ccccc1)c1ccccc1
InChIInChI=1S/C28H34BN/c1-27(2)20-13-21-28(3,4)30(27)22-23-14-11-12-19-26(23)29(24-15-7-5-8-16-24)25-17-9-6-10-18-25/h5-12,14-19H,13,20-22H2,1-4H3
InChIKeySOOIKPKMMSAYJA-UHFFFAOYSA-N
XLogP4.75
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.40
LogP ≤ 54.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(2-ethylphenyl)-diphenylborane
CID 141154731
chloro-bis[2-(2,2,6,6-tetramethylpiperidin-1-yl)phenyl]borane
CID 132966148
6-[(2,2,6,6-tetramethylpiperidin-1-yl)methyl]pyridin-2-amine
CID 18771644
[2-(azetidin-1-ylmethyl)phenyl]boronic acid
CID 175402198
1-benzyl-2,2-dimethylpyrrolidine
CID 10954329
(2-butylphenyl)-diphenylborane;tetraethylphosphanium
CID 160903362
sodium;hydride;2,2,6,6-tetramethyl-1-phenylpiperidine
CID 175329536
chloro-(2,3,4,5,6-pentafluorophenyl)-[2-(2,2,6,6-tetramethylpiperidin-1-yl)phenyl]borane
CID 132507174
[2-[[(2R,5R)-2,5-diphenylpyrrolidin-1-yl]methyl]phenyl]boronic acid
CID 102481746
N-[[2-[(4,4-dimethylpiperidin-1-yl)methyl]phenyl]methyl]ethanamine
CID 55155178
[2-[(2,2,6,6-tetramethylpiperidin-1-yl)oxymethyl]phenyl]methanol
CID 142744550
[1-[[(2-pyrrolidin-1-ylphenyl)methylamino]methyl]cyclopropyl]methanol
CID 79478327

Frequently Asked Questions

What is the IUPAC name of diphenyl-[2-[(2,2,6,6-tetramethylpiperidin-1-yl)methyl]phenyl]borane?
The IUPAC name of diphenyl-[2-[(2,2,6,6-tetramethylpiperidin-1-yl)methyl]phenyl]borane (CID 102024987) is diphenyl-[2-[(2,2,6,6-tetramethylpiperidin-1-yl)methyl]phenyl]borane.
What is the SMILES notation for diphenyl-[2-[(2,2,6,6-tetramethylpiperidin-1-yl)methyl]phenyl]borane?
The canonical SMILES for diphenyl-[2-[(2,2,6,6-tetramethylpiperidin-1-yl)methyl]phenyl]borane is CC1(C)CCCC(C)(C)N1Cc1ccccc1B(c1ccccc1)c1ccccc1.
What is the InChIKey of diphenyl-[2-[(2,2,6,6-tetramethylpiperidin-1-yl)methyl]phenyl]borane?
The InChIKey is SOOIKPKMMSAYJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H34BN/c1-27(2)20-13-21-28(3,4)30(27)22-23-14-11-12-19-26(23)29(24-15-7-5-8-16-24)25-17-9-6-10-18-25/h5-12,14-19H,13,20-22H2,1-4H3.
What are the key properties of diphenyl-[2-[(2,2,6,6-tetramethylpiperidin-1-yl)methyl]phenyl]borane?
diphenyl-[2-[(2,2,6,6-tetramethylpiperidin-1-yl)methyl]phenyl]borane has a molecular weight of 395.40 g/mol, XLogP of 4.75, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for diphenyl-[2-[(2,2,6,6-tetramethylpiperidin-1-yl)methyl]phenyl]borane is sourced from PubChem (CID 102024987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).