N-[[4-[[hydroxy-(2,2,6,6-tetramethylpiperidin-4-yl)amino]methyl]phenyl]methyl]-N-(2,2,6,6-tetramethylpiperidin-4-yl)hydroxylamine

C26H46N4O2 — CID 22902695

IUPACN-[[4-[[hydroxy-(2,2,6,6-tetramethylpiperidin-4-yl)amino]methyl]phenyl]methyl]-N-(2,2,6,6-tetramethylpiperidin-4-yl)hydroxylamine
SMILESCC1(C)CC(N(O)Cc2ccc(CN(O)C3CC(C)(C)NC(C)(C)C3)cc2)CC(C)(C)N1
InChIInChI=1S/C26H46N4O2/c1-23(2)13-21(14-24(3,4)27-23)29(31)17-19-9-11-20(12-10-19)18-30(32)22-15-25(5,6)28-26(7,8)16-22/h9-12,21-22,27-28,31-32H,13-18H2,1-8H3
InChIKeyVJCDAALCAWPYQR-UHFFFAOYSA-N
MW446.68 g/mol
LogP4.69
Rot. Bonds6

About N-[[4-[[hydroxy-(2,2,6,6-tetramethylpiperidin-4-yl)amino]methyl]phenyl]methyl]-N-(2,2,6,6-tetramethylpiperidin-4-yl)hydroxylamine

N-[[4-[[hydroxy-(2,2,6,6-tetramethylpiperidin-4-yl)amino]methyl]phenyl]methyl]-N-(2,2,6,6-tetramethylpiperidin-4-yl)hydroxylamine (PubChem CID 22902695) has the molecular formula C26H46N4O2 and a molecular weight of 446.68 g/mol. Its IUPAC name is N-[[4-[[hydroxy-(2,2,6,6-tetramethylpiperidin-4-yl)amino]methyl]phenyl]methyl]-N-(2,2,6,6-tetramethylpiperidin-4-yl)hydroxylamine.

Molecular Properties

Compound NameN-[[4-[[hydroxy-(2,2,6,6-tetramethylpiperidin-4-yl)amino]methyl]phenyl]methyl]-N-(2,2,6,6-tetramethylpiperidin-4-yl)hydroxylamine
PubChem CID22902695
Molecular FormulaC26H46N4O2
Molecular Weight446.68 g/mol
Exact Mass446.36
IUPAC NameN-[[4-[[hydroxy-(2,2,6,6-tetramethylpiperidin-4-yl)amino]methyl]phenyl]methyl]-N-(2,2,6,6-tetramethylpiperidin-4-yl)hydroxylamine
SMILESCC1(C)CC(N(O)Cc2ccc(CN(O)C3CC(C)(C)NC(C)(C)C3)cc2)CC(C)(C)N1
InChIInChI=1S/C26H46N4O2/c1-23(2)13-21(14-24(3,4)27-23)29(31)17-19-9-11-20(12-10-19)18-30(32)22-15-25(5,6)28-26(7,8)16-22/h9-12,21-22,27-28,31-32H,13-18H2,1-8H3
InChIKeyVJCDAALCAWPYQR-UHFFFAOYSA-N
XLogP4.69
TPSA71.00 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.68
LogP ≤ 54.69
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[[4-[[hydroxy-(2,2,6,6-tetramethylpiperidin-4-yl)amino]methyl]phenyl]methyl]-N-(2,2,6,6-tetramethylpiperidin-4-yl)hydroxylamine?
The IUPAC name of N-[[4-[[hydroxy-(2,2,6,6-tetramethylpiperidin-4-yl)amino]methyl]phenyl]methyl]-N-(2,2,6,6-tetramethylpiperidin-4-yl)hydroxylamine (CID 22902695) is N-[[4-[[hydroxy-(2,2,6,6-tetramethylpiperidin-4-yl)amino]methyl]phenyl]methyl]-N-(2,2,6,6-tetramethylpiperidin-4-yl)hydroxylamine.
What is the SMILES notation for N-[[4-[[hydroxy-(2,2,6,6-tetramethylpiperidin-4-yl)amino]methyl]phenyl]methyl]-N-(2,2,6,6-tetramethylpiperidin-4-yl)hydroxylamine?
The canonical SMILES for N-[[4-[[hydroxy-(2,2,6,6-tetramethylpiperidin-4-yl)amino]methyl]phenyl]methyl]-N-(2,2,6,6-tetramethylpiperidin-4-yl)hydroxylamine is CC1(C)CC(N(O)Cc2ccc(CN(O)C3CC(C)(C)NC(C)(C)C3)cc2)CC(C)(C)N1.
What is the InChIKey of N-[[4-[[hydroxy-(2,2,6,6-tetramethylpiperidin-4-yl)amino]methyl]phenyl]methyl]-N-(2,2,6,6-tetramethylpiperidin-4-yl)hydroxylamine?
The InChIKey is VJCDAALCAWPYQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H46N4O2/c1-23(2)13-21(14-24(3,4)27-23)29(31)17-19-9-11-20(12-10-19)18-30(32)22-15-25(5,6)28-26(7,8)16-22/h9-12,21-22,27-28,31-32H,13-18H2,1-8H3.
What are the key properties of N-[[4-[[hydroxy-(2,2,6,6-tetramethylpiperidin-4-yl)amino]methyl]phenyl]methyl]-N-(2,2,6,6-tetramethylpiperidin-4-yl)hydroxylamine?
N-[[4-[[hydroxy-(2,2,6,6-tetramethylpiperidin-4-yl)amino]methyl]phenyl]methyl]-N-(2,2,6,6-tetramethylpiperidin-4-yl)hydroxylamine has a molecular weight of 446.68 g/mol, XLogP of 4.69, 6 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[[hydroxy-(2,2,6,6-tetramethylpiperidin-4-yl)amino]methyl]phenyl]methyl]-N-(2,2,6,6-tetramethylpiperidin-4-yl)hydroxylamine is sourced from PubChem (CID 22902695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).