1,2-bis(2,2,6,6-tetramethylpiperidin-4-yl)decane-1,1-diol

C28H56N2O2 — CID 167575636

IUPAC1,2-bis(2,2,6,6-tetramethylpiperidin-4-yl)decane-1,1-diol
SMILESCCCCCCCCC(C1CC(C)(C)NC(C)(C)C1)C(O)(O)C1CC(C)(C)NC(C)(C)C1
InChIInChI=1S/C28H56N2O2/c1-10-11-12-13-14-15-16-23(21-17-24(2,3)29-25(4,5)18-21)28(31,32)22-19-26(6,7)30-27(8,9)20-22/h21-23,29-32H,10-20H2,1-9H3
InChIKeyGMLHZLHVWMVXIE-UHFFFAOYSA-N
MW452.77 g/mol
LogP6.15
Rot. Bonds10

About 1,2-bis(2,2,6,6-tetramethylpiperidin-4-yl)decane-1,1-diol

1,2-bis(2,2,6,6-tetramethylpiperidin-4-yl)decane-1,1-diol (PubChem CID 167575636) has the molecular formula C28H56N2O2 and a molecular weight of 452.77 g/mol. Its IUPAC name is 1,2-bis(2,2,6,6-tetramethylpiperidin-4-yl)decane-1,1-diol.

Molecular Properties

Compound Name1,2-bis(2,2,6,6-tetramethylpiperidin-4-yl)decane-1,1-diol
PubChem CID167575636
Molecular FormulaC28H56N2O2
Molecular Weight452.77 g/mol
Exact Mass452.43
IUPAC Name1,2-bis(2,2,6,6-tetramethylpiperidin-4-yl)decane-1,1-diol
SMILESCCCCCCCCC(C1CC(C)(C)NC(C)(C)C1)C(O)(O)C1CC(C)(C)NC(C)(C)C1
InChIInChI=1S/C28H56N2O2/c1-10-11-12-13-14-15-16-23(21-17-24(2,3)29-25(4,5)18-21)28(31,32)22-19-26(6,7)30-27(8,9)20-22/h21-23,29-32H,10-20H2,1-9H3
InChIKeyGMLHZLHVWMVXIE-UHFFFAOYSA-N
XLogP6.15
TPSA64.52 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500452.77
LogP ≤ 56.15
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

1-(2,2,6,6-tetramethylpiperidin-4-yl)octadecan-1-amine
CID 70555814
N-[1-(2,2,6,6-tetramethylpiperidin-4-yl)propyl]tetradecan-1-amine
CID 141405749
bis(2,2,6,6-tetramethylpiperidin-4-yl) 2,2-dibutylpropanedioate
CID 20512140
2,2-dimethyl-1-(2,2,6,6-tetramethylpiperidin-4-yl)oxyhexan-1-ol
CID 139492039
4-decoxy-2,2,6,6-tetramethylpiperidine
CID 141105994
5-oxo-5-[1,2,3-tris(2,2,6,6-tetramethylpiperidin-4-yl)tridecoxy]pentane-1,2,3-tricarboxylic acid
CID 66669696
2-ethyl-2-(2,2,6,6-tetramethylpiperidin-4-yl)hexanoic acid
CID 68877413
(2,2,6,6-tetramethylpiperidin-4-yl) 2-hexyl-5-methylundec-3-enoate
CID 71130144
1-O-(2,2,6,6-tetramethylpiperidin-4-yl) 3-O-(2,2,6-trimethylpiperidin-4-yl) 2-heptylpropanedioate
CID 70965524
6-[(2,2,6,6-tetramethylpiperidin-4-yl)oxycarbonylamino]undecanoic acid
CID 90832093
N-[6-[heptanoyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]hexyl]-N-(2,2,6,6-tetramethylpiperidin-4-yl)heptanamide
CID 18998994
butane-1,2,3,4-tetracarboxylic acid;2,2,6,6-tetramethylpiperidin-4-ol;tridecan-1-ol
CID 68630296

Frequently Asked Questions

What is the IUPAC name of 1,2-bis(2,2,6,6-tetramethylpiperidin-4-yl)decane-1,1-diol?
The IUPAC name of 1,2-bis(2,2,6,6-tetramethylpiperidin-4-yl)decane-1,1-diol (CID 167575636) is 1,2-bis(2,2,6,6-tetramethylpiperidin-4-yl)decane-1,1-diol.
What is the SMILES notation for 1,2-bis(2,2,6,6-tetramethylpiperidin-4-yl)decane-1,1-diol?
The canonical SMILES for 1,2-bis(2,2,6,6-tetramethylpiperidin-4-yl)decane-1,1-diol is CCCCCCCCC(C1CC(C)(C)NC(C)(C)C1)C(O)(O)C1CC(C)(C)NC(C)(C)C1.
What is the InChIKey of 1,2-bis(2,2,6,6-tetramethylpiperidin-4-yl)decane-1,1-diol?
The InChIKey is GMLHZLHVWMVXIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H56N2O2/c1-10-11-12-13-14-15-16-23(21-17-24(2,3)29-25(4,5)18-21)28(31,32)22-19-26(6,7)30-27(8,9)20-22/h21-23,29-32H,10-20H2,1-9H3.
What are the key properties of 1,2-bis(2,2,6,6-tetramethylpiperidin-4-yl)decane-1,1-diol?
1,2-bis(2,2,6,6-tetramethylpiperidin-4-yl)decane-1,1-diol has a molecular weight of 452.77 g/mol, XLogP of 6.15, 10 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-bis(2,2,6,6-tetramethylpiperidin-4-yl)decane-1,1-diol is sourced from PubChem (CID 167575636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).