2-tert-butyl-6-[[3-tert-butyl-2-hydroxy-5-(piperidin-1-ylmethyl)phenyl]methyl]-4-(piperidin-1-ylmethyl)phenol

C33H50N2O2 — CID 21053756

IUPAC2-tert-butyl-6-[[3-tert-butyl-2-hydroxy-5-(piperidin-1-ylmethyl)phenyl]methyl]-4-(piperidin-1-ylmethyl)phenol
SMILESCC(C)(C)c1cc(CN2CCCCC2)cc(Cc2cc(CN3CCCCC3)cc(C(C)(C)C)c2O)c1O
InChIInChI=1S/C33H50N2O2/c1-32(2,3)28-19-24(22-34-13-9-7-10-14-34)17-26(30(28)36)21-27-18-25(23-35-15-11-8-12-16-35)20-29(31(27)37)33(4,5)6/h17-20,36-37H,7-16,21-23H2,1-6H3
InChIKeyFHIUNACWAWFXAR-UHFFFAOYSA-N
MW506.78 g/mol
LogP7.26
Rot. Bonds6

About 2-tert-butyl-6-[[3-tert-butyl-2-hydroxy-5-(piperidin-1-ylmethyl)phenyl]methyl]-4-(piperidin-1-ylmethyl)phenol

2-tert-butyl-6-[[3-tert-butyl-2-hydroxy-5-(piperidin-1-ylmethyl)phenyl]methyl]-4-(piperidin-1-ylmethyl)phenol (PubChem CID 21053756) has the molecular formula C33H50N2O2 and a molecular weight of 506.78 g/mol. Its IUPAC name is 2-tert-butyl-6-[[3-tert-butyl-2-hydroxy-5-(piperidin-1-ylmethyl)phenyl]methyl]-4-(piperidin-1-ylmethyl)phenol.

Molecular Properties

Compound Name2-tert-butyl-6-[[3-tert-butyl-2-hydroxy-5-(piperidin-1-ylmethyl)phenyl]methyl]-4-(piperidin-1-ylmethyl)phenol
PubChem CID21053756
Molecular FormulaC33H50N2O2
Molecular Weight506.78 g/mol
Exact Mass506.39
IUPAC Name2-tert-butyl-6-[[3-tert-butyl-2-hydroxy-5-(piperidin-1-ylmethyl)phenyl]methyl]-4-(piperidin-1-ylmethyl)phenol
SMILESCC(C)(C)c1cc(CN2CCCCC2)cc(Cc2cc(CN3CCCCC3)cc(C(C)(C)C)c2O)c1O
InChIInChI=1S/C33H50N2O2/c1-32(2,3)28-19-24(22-34-13-9-7-10-14-34)17-26(30(28)36)21-27-18-25(23-35-15-11-8-12-16-35)20-29(31(27)37)33(4,5)6/h17-20,36-37H,7-16,21-23H2,1-6H3
InChIKeyFHIUNACWAWFXAR-UHFFFAOYSA-N
XLogP7.26
TPSA46.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500506.78
LogP ≤ 57.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2,6-bis(2,2-dimethylpropyl)-4-(piperidin-1-ylmethyl)phenol
CID 21092695
2,6-ditert-butyl-4-[(4-methylpiperazin-1-yl)methyl]phenol
CID 751703
2-tert-butyl-6-[[3-[(3-tert-butyl-4-hydroxy-5-methylphenyl)methyl]-1,3-diazinan-1-yl]methyl]-4-methylphenol
CID 88524964
2-tert-butyl-6-[(3,5-ditert-butyl-4-hydroxyphenyl)methyl]-4-methylphenol
CID 3480834
2,4-ditert-butyl-6-[[4-[(3,5-ditert-butyl-2-hydroxyphenyl)methyl]piperazin-1-yl]methyl]phenol
CID 24854213
1-[(3,5-ditert-butyl-4-hydroxyphenyl)methyl]-N-propan-2-ylpiperidine-4-carboxamide
CID 3650832
2-tert-butyl-4-[[13-[(3-tert-butyl-4-hydroxy-5-methylphenyl)methyl]-1,4,10-trioxa-7,13-diazacyclopentadec-7-yl]methyl]-6-methylphenol
CID 11028199
2,6-ditert-butyl-4-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]phenol
CID 2837847
2-tert-butyl-6-[(3-tert-butyl-2-hydroxy-5-methylphenyl)methyl]-4-methylphenol;carbanide;titanium(2+)
CID 15770367
2,6-ditert-butyl-4-[(2-pyrrolidin-1-ylethylamino)methyl]phenol
CID 3294488
2,6-ditert-butyl-4-[[(2S)-2-methylpiperidin-1-yl]methyl]phenol
CID 7444975
ethyl (3R)-1-[(3,5-ditert-butyl-4-hydroxyphenyl)methyl]piperidine-3-carboxylate
CID 1376817

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-6-[[3-tert-butyl-2-hydroxy-5-(piperidin-1-ylmethyl)phenyl]methyl]-4-(piperidin-1-ylmethyl)phenol?
The IUPAC name of 2-tert-butyl-6-[[3-tert-butyl-2-hydroxy-5-(piperidin-1-ylmethyl)phenyl]methyl]-4-(piperidin-1-ylmethyl)phenol (CID 21053756) is 2-tert-butyl-6-[[3-tert-butyl-2-hydroxy-5-(piperidin-1-ylmethyl)phenyl]methyl]-4-(piperidin-1-ylmethyl)phenol.
What is the SMILES notation for 2-tert-butyl-6-[[3-tert-butyl-2-hydroxy-5-(piperidin-1-ylmethyl)phenyl]methyl]-4-(piperidin-1-ylmethyl)phenol?
The canonical SMILES for 2-tert-butyl-6-[[3-tert-butyl-2-hydroxy-5-(piperidin-1-ylmethyl)phenyl]methyl]-4-(piperidin-1-ylmethyl)phenol is CC(C)(C)c1cc(CN2CCCCC2)cc(Cc2cc(CN3CCCCC3)cc(C(C)(C)C)c2O)c1O.
What is the InChIKey of 2-tert-butyl-6-[[3-tert-butyl-2-hydroxy-5-(piperidin-1-ylmethyl)phenyl]methyl]-4-(piperidin-1-ylmethyl)phenol?
The InChIKey is FHIUNACWAWFXAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H50N2O2/c1-32(2,3)28-19-24(22-34-13-9-7-10-14-34)17-26(30(28)36)21-27-18-25(23-35-15-11-8-12-16-35)20-29(31(27)37)33(4,5)6/h17-20,36-37H,7-16,21-23H2,1-6H3.
What are the key properties of 2-tert-butyl-6-[[3-tert-butyl-2-hydroxy-5-(piperidin-1-ylmethyl)phenyl]methyl]-4-(piperidin-1-ylmethyl)phenol?
2-tert-butyl-6-[[3-tert-butyl-2-hydroxy-5-(piperidin-1-ylmethyl)phenyl]methyl]-4-(piperidin-1-ylmethyl)phenol has a molecular weight of 506.78 g/mol, XLogP of 7.26, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-6-[[3-tert-butyl-2-hydroxy-5-(piperidin-1-ylmethyl)phenyl]methyl]-4-(piperidin-1-ylmethyl)phenol is sourced from PubChem (CID 21053756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).