2,6-ditert-butyl-4-[2-methyl-3-(1,2,2,6,6-pentamethylpiperidin-4-yl)-2-[(1,2,2,6,6-pentamethylpiperidin-4-yl)methyl]propyl]phenol

C39H70N2O — CID 90741452

IUPAC2,6-ditert-butyl-4-[2-methyl-3-(1,2,2,6,6-pentamethylpiperidin-4-yl)-2-[(1,2,2,6,6-pentamethylpiperidin-4-yl)methyl]propyl]phenol
SMILESCN1C(C)(C)CC(CC(C)(Cc2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)CC2CC(C)(C)N(C)C(C)(C)C2)CC1(C)C
InChIInChI=1S/C39H70N2O/c1-33(2,3)30-18-27(19-31(32(30)42)34(4,5)6)24-39(15,25-28-20-35(7,8)40(16)36(9,10)21-28)26-29-22-37(11,12)41(17)38(13,14)23-29/h18-19,28-29,42H,20-26H2,1-17H3
InChIKeyNYCZEGJDDWXEAI-UHFFFAOYSA-N
MW583.00 g/mol
LogP10.11
Rot. Bonds6

About 2,6-ditert-butyl-4-[2-methyl-3-(1,2,2,6,6-pentamethylpiperidin-4-yl)-2-[(1,2,2,6,6-pentamethylpiperidin-4-yl)methyl]propyl]phenol

2,6-ditert-butyl-4-[2-methyl-3-(1,2,2,6,6-pentamethylpiperidin-4-yl)-2-[(1,2,2,6,6-pentamethylpiperidin-4-yl)methyl]propyl]phenol (PubChem CID 90741452) has the molecular formula C39H70N2O and a molecular weight of 583.00 g/mol. Its IUPAC name is 2,6-ditert-butyl-4-[2-methyl-3-(1,2,2,6,6-pentamethylpiperidin-4-yl)-2-[(1,2,2,6,6-pentamethylpiperidin-4-yl)methyl]propyl]phenol.

Molecular Properties

Compound Name2,6-ditert-butyl-4-[2-methyl-3-(1,2,2,6,6-pentamethylpiperidin-4-yl)-2-[(1,2,2,6,6-pentamethylpiperidin-4-yl)methyl]propyl]phenol
PubChem CID90741452
Molecular FormulaC39H70N2O
Molecular Weight583.00 g/mol
Exact Mass582.55
IUPAC Name2,6-ditert-butyl-4-[2-methyl-3-(1,2,2,6,6-pentamethylpiperidin-4-yl)-2-[(1,2,2,6,6-pentamethylpiperidin-4-yl)methyl]propyl]phenol
SMILESCN1C(C)(C)CC(CC(C)(Cc2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)CC2CC(C)(C)N(C)C(C)(C)C2)CC1(C)C
InChIInChI=1S/C39H70N2O/c1-33(2,3)30-18-27(19-31(32(30)42)34(4,5)6)24-39(15,25-28-20-35(7,8)40(16)36(9,10)21-28)26-29-22-37(11,12)41(17)38(13,14)23-29/h18-19,28-29,42H,20-26H2,1-17H3
InChIKeyNYCZEGJDDWXEAI-UHFFFAOYSA-N
XLogP10.11
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500583.00
LogP ≤ 510.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2,6-ditert-butyl-4-[2-methyl-3-(1,2,2,6,6-pentamethylpiperidin-4-yl)-2-[(1,2,2,6,6-pentamethylpiperidin-4-yl)methyl]propyl]phenol with MolForge

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Related Compounds

bis(1,2,2,6,6-pentamethylpiperidin-4-yl) 2-cyclopropyl-2-[(3,5-ditert-butyl-4-hydroxyphenyl)methyl]propanedioate
CID 91448406
3-butoxy-2-[(3,5-ditert-butyl-4-hydroxyphenyl)methyl]-3-oxo-2-(1,2,2,6,6-pentamethylpiperidin-4-yl)propanoic acid
CID 175327402
3-[1-(3,5-ditert-butyl-4-hydroxyphenyl)-2-(1,2,2,6,6-pentamethylpiperidin-4-yl)pentan-2-yl]oxy-3-oxopropanoic acid
CID 155011051
(1,2,2,6,6-pentamethylpiperidin-4-yl) 4-(3,5-ditert-butyl-4-hydroxyphenyl)-2,2,3-trimethylbutanoate
CID 143162480
bis(1,2,2,6,6-pentamethylpiperidin-4-yl) 2-butyl-2-[(3,5-ditert-butyl-4-hydroxyphenyl)methyl]butanedioate
CID 176897785
4-[[4-[[4-[(3,5-ditert-butyl-4-methylphenyl)methyl]cyclohexyl]methyl]cyclohexyl]methyl]-1,2,2,6,6-pentamethylpiperidine
CID 134370008
1-O-[5-(3,5-ditert-butyl-4-hydroxyphenyl)pentyl] 3-O-(1,2,2,6,6-pentamethylpiperidin-4-yl) 2-(1,2,2,6,6-pentamethylpiperidin-4-yl)propanedioate
CID 87403894
4-O-[3-[4-[4-[3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoyloxy]phenyl]phenoxy]carbonyl-5-[4-oxo-4-(1,2,2,6,6-pentamethylpiperidin-4-yl)oxybutanoyl]oxyphenyl] 1-O-(1,2,2,6,6-pentamethylpiperidin-4-yl) butanedioate
CID 58030547
2,6-ditert-butyl-4-[2-[4-(4-propylcyclohexyl)cyclohexyl]ethyl]phenol
CID 121442924
[1-[3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoyloxy]-2,2,6,6-tetramethylpiperidin-4-yl] 3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoate
CID 19044858
4-(3-amino-2,2-dimethylpropyl)-2,6-ditert-butylphenol
CID 20536288
bis[1-(diethylcarbamoyl)-2,2,6,6-tetramethylpiperidin-4-yl] 2,2-bis[(3,5-ditert-butyl-4-hydroxyphenyl)methyl]propanedioate
CID 21324544

Frequently Asked Questions

What is the IUPAC name of 2,6-ditert-butyl-4-[2-methyl-3-(1,2,2,6,6-pentamethylpiperidin-4-yl)-2-[(1,2,2,6,6-pentamethylpiperidin-4-yl)methyl]propyl]phenol?
The IUPAC name of 2,6-ditert-butyl-4-[2-methyl-3-(1,2,2,6,6-pentamethylpiperidin-4-yl)-2-[(1,2,2,6,6-pentamethylpiperidin-4-yl)methyl]propyl]phenol (CID 90741452) is 2,6-ditert-butyl-4-[2-methyl-3-(1,2,2,6,6-pentamethylpiperidin-4-yl)-2-[(1,2,2,6,6-pentamethylpiperidin-4-yl)methyl]propyl]phenol.
What is the SMILES notation for 2,6-ditert-butyl-4-[2-methyl-3-(1,2,2,6,6-pentamethylpiperidin-4-yl)-2-[(1,2,2,6,6-pentamethylpiperidin-4-yl)methyl]propyl]phenol?
The canonical SMILES for 2,6-ditert-butyl-4-[2-methyl-3-(1,2,2,6,6-pentamethylpiperidin-4-yl)-2-[(1,2,2,6,6-pentamethylpiperidin-4-yl)methyl]propyl]phenol is CN1C(C)(C)CC(CC(C)(Cc2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)CC2CC(C)(C)N(C)C(C)(C)C2)CC1(C)C.
What is the InChIKey of 2,6-ditert-butyl-4-[2-methyl-3-(1,2,2,6,6-pentamethylpiperidin-4-yl)-2-[(1,2,2,6,6-pentamethylpiperidin-4-yl)methyl]propyl]phenol?
The InChIKey is NYCZEGJDDWXEAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H70N2O/c1-33(2,3)30-18-27(19-31(32(30)42)34(4,5)6)24-39(15,25-28-20-35(7,8)40(16)36(9,10)21-28)26-29-22-37(11,12)41(17)38(13,14)23-29/h18-19,28-29,42H,20-26H2,1-17H3.
What are the key properties of 2,6-ditert-butyl-4-[2-methyl-3-(1,2,2,6,6-pentamethylpiperidin-4-yl)-2-[(1,2,2,6,6-pentamethylpiperidin-4-yl)methyl]propyl]phenol?
2,6-ditert-butyl-4-[2-methyl-3-(1,2,2,6,6-pentamethylpiperidin-4-yl)-2-[(1,2,2,6,6-pentamethylpiperidin-4-yl)methyl]propyl]phenol has a molecular weight of 583.00 g/mol, XLogP of 10.11, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-ditert-butyl-4-[2-methyl-3-(1,2,2,6,6-pentamethylpiperidin-4-yl)-2-[(1,2,2,6,6-pentamethylpiperidin-4-yl)methyl]propyl]phenol is sourced from PubChem (CID 90741452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).