2,6-ditert-butyl-4-[(2S)-2-hydroxy-3-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]propoxy]phenol

C26H46N2O3 — CID 1311869

IUPAC2,6-ditert-butyl-4-[(2S)-2-hydroxy-3-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]propoxy]phenol
SMILESCC1(C)CC(NC[C@H](O)COc2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)CC(C)(C)N1
InChIInChI=1S/C26H46N2O3/c1-23(2,3)20-11-19(12-21(22(20)30)24(4,5)6)31-16-18(29)15-27-17-13-25(7,8)28-26(9,10)14-17/h11-12,17-18,27-30H,13-16H2,1-10H3/t18-/m0/s1
InChIKeyAVPFIBQDFUEDQW-SFHVURJKSA-N
MW434.67 g/mol
LogP4.63
Rot. Bonds6

About 2,6-ditert-butyl-4-[(2S)-2-hydroxy-3-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]propoxy]phenol

2,6-ditert-butyl-4-[(2S)-2-hydroxy-3-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]propoxy]phenol (PubChem CID 1311869) has the molecular formula C26H46N2O3 and a molecular weight of 434.67 g/mol. Its IUPAC name is 2,6-ditert-butyl-4-[(2S)-2-hydroxy-3-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]propoxy]phenol.

Molecular Properties

Compound Name2,6-ditert-butyl-4-[(2S)-2-hydroxy-3-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]propoxy]phenol
PubChem CID1311869
Molecular FormulaC26H46N2O3
Molecular Weight434.67 g/mol
Exact Mass434.35
IUPAC Name2,6-ditert-butyl-4-[(2S)-2-hydroxy-3-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]propoxy]phenol
SMILESCC1(C)CC(NC[C@H](O)COc2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)CC(C)(C)N1
InChIInChI=1S/C26H46N2O3/c1-23(2,3)20-11-19(12-21(22(20)30)24(4,5)6)31-16-18(29)15-27-17-13-25(7,8)28-26(9,10)14-17/h11-12,17-18,27-30H,13-16H2,1-10H3/t18-/m0/s1
InChIKeyAVPFIBQDFUEDQW-SFHVURJKSA-N
XLogP4.63
TPSA73.75 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.67
LogP ≤ 54.63
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2,6-ditert-butyl-4-[(2S)-2-hydroxy-3-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]propoxy]phenol?
The IUPAC name of 2,6-ditert-butyl-4-[(2S)-2-hydroxy-3-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]propoxy]phenol (CID 1311869) is 2,6-ditert-butyl-4-[(2S)-2-hydroxy-3-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]propoxy]phenol.
What is the SMILES notation for 2,6-ditert-butyl-4-[(2S)-2-hydroxy-3-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]propoxy]phenol?
The canonical SMILES for 2,6-ditert-butyl-4-[(2S)-2-hydroxy-3-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]propoxy]phenol is CC1(C)CC(NC[C@H](O)COc2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)CC(C)(C)N1.
What is the InChIKey of 2,6-ditert-butyl-4-[(2S)-2-hydroxy-3-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]propoxy]phenol?
The InChIKey is AVPFIBQDFUEDQW-SFHVURJKSA-N. The full InChI is InChI=1S/C26H46N2O3/c1-23(2,3)20-11-19(12-21(22(20)30)24(4,5)6)31-16-18(29)15-27-17-13-25(7,8)28-26(9,10)14-17/h11-12,17-18,27-30H,13-16H2,1-10H3/t18-/m0/s1.
What are the key properties of 2,6-ditert-butyl-4-[(2S)-2-hydroxy-3-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]propoxy]phenol?
2,6-ditert-butyl-4-[(2S)-2-hydroxy-3-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]propoxy]phenol has a molecular weight of 434.67 g/mol, XLogP of 4.63, 6 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-ditert-butyl-4-[(2S)-2-hydroxy-3-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]propoxy]phenol is sourced from PubChem (CID 1311869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).