1,9-dihydroxy-2,2,4,8,8,10,10-heptamethyl-1,9-diazaspiro[5.5]undecane;1-hydroxy-2,2,4,6,6-pentamethylpiperidine;N-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)-N,1,2,2,6,6-hexamethylpiperidin-4-amine

C46H94N6O4 — CID 161349647

IUPAC1,9-dihydroxy-2,2,4,8,8,10,10-heptamethyl-1,9-diazaspiro[5.5]undecane;1-hydroxy-2,2,4,6,6-pentamethylpiperidine;N-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)-N,1,2,2,6,6-hexamethylpiperidin-4-amine
SMILESCC1CC(C)(C)N(O)C(C)(C)C1.CC1CC(C)(C)N(O)C2(C1)CC(C)(C)N(O)C(C)(C)C2.CN(C1CC(C)(C)N(C)C(C)(C)C1)C1CC(C)(C)N(O)C(C)(C)C1
InChIInChI=1S/C20H41N3O.C16H32N2O2.C10H21NO/c1-17(2)11-15(12-18(3,4)22(17)10)21(9)16-13-19(5,6)23(24)20(7,8)14-16;1-12-8-13(2,3)18(20)16(9-12)10-14(4,5)17(19)15(6,7)11-16;1-8-6-9(2,3)11(12)10(4,5)7-8/h15-16,24H,11-14H2,1-10H3;12,19-20H,8-11H2,1-7H3;8,12H,6-7H2,1-5H3
InChIKeyOIRONWMOLBKJNH-UHFFFAOYSA-N
MW795.30 g/mol
LogP10.31
Rot. Bonds2

About 1,9-dihydroxy-2,2,4,8,8,10,10-heptamethyl-1,9-diazaspiro[5.5]undecane;1-hydroxy-2,2,4,6,6-pentamethylpiperidine;N-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)-N,1,2,2,6,6-hexamethylpiperidin-4-amine

1,9-dihydroxy-2,2,4,8,8,10,10-heptamethyl-1,9-diazaspiro[5.5]undecane;1-hydroxy-2,2,4,6,6-pentamethylpiperidine;N-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)-N,1,2,2,6,6-hexamethylpiperidin-4-amine (PubChem CID 161349647) has the molecular formula C46H94N6O4 and a molecular weight of 795.30 g/mol. Its IUPAC name is 1,9-dihydroxy-2,2,4,8,8,10,10-heptamethyl-1,9-diazaspiro[5.5]undecane;1-hydroxy-2,2,4,6,6-pentamethylpiperidine;N-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)-N,1,2,2,6,6-hexamethylpiperidin-4-amine.

Molecular Properties

Compound Name1,9-dihydroxy-2,2,4,8,8,10,10-heptamethyl-1,9-diazaspiro[5.5]undecane;1-hydroxy-2,2,4,6,6-pentamethylpiperidine;N-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)-N,1,2,2,6,6-hexamethylpiperidin-4-amine
PubChem CID161349647
Molecular FormulaC46H94N6O4
Molecular Weight795.30 g/mol
Exact Mass794.73
IUPAC Name1,9-dihydroxy-2,2,4,8,8,10,10-heptamethyl-1,9-diazaspiro[5.5]undecane;1-hydroxy-2,2,4,6,6-pentamethylpiperidine;N-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)-N,1,2,2,6,6-hexamethylpiperidin-4-amine
SMILESCC1CC(C)(C)N(O)C(C)(C)C1.CC1CC(C)(C)N(O)C2(C1)CC(C)(C)N(O)C(C)(C)C2.CN(C1CC(C)(C)N(C)C(C)(C)C1)C1CC(C)(C)N(O)C(C)(C)C1
InChIInChI=1S/C20H41N3O.C16H32N2O2.C10H21NO/c1-17(2)11-15(12-18(3,4)22(17)10)21(9)16-13-19(5,6)23(24)20(7,8)14-16;1-12-8-13(2,3)18(20)16(9-12)10-14(4,5)17(19)15(6,7)11-16;1-8-6-9(2,3)11(12)10(4,5)7-8/h15-16,24H,11-14H2,1-10H3;12,19-20H,8-11H2,1-7H3;8,12H,6-7H2,1-5H3
InChIKeyOIRONWMOLBKJNH-UHFFFAOYSA-N
XLogP10.31
TPSA100.36 Ų
H-Bond Donors4
H-Bond Acceptors10
Rotatable Bonds2
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500795.30
LogP ≤ 510.31
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1010

Analyze 1,9-dihydroxy-2,2,4,8,8,10,10-heptamethyl-1,9-diazaspiro[5.5]undecane;1-hydroxy-2,2,4,6,6-pentamethylpiperidine;N-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)-N,1,2,2,6,6-hexamethylpiperidin-4-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1,9-dihydroxy-2,2,4,8,8,10,10-heptamethyl-1,9-diazaspiro[5.5]undecane;1-hydroxy-2,2,4,6,6-pentamethylpiperidine;N-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)-N,1,2,2,6,6-hexamethylpiperidin-4-amine?
The IUPAC name of 1,9-dihydroxy-2,2,4,8,8,10,10-heptamethyl-1,9-diazaspiro[5.5]undecane;1-hydroxy-2,2,4,6,6-pentamethylpiperidine;N-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)-N,1,2,2,6,6-hexamethylpiperidin-4-amine (CID 161349647) is 1,9-dihydroxy-2,2,4,8,8,10,10-heptamethyl-1,9-diazaspiro[5.5]undecane;1-hydroxy-2,2,4,6,6-pentamethylpiperidine;N-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)-N,1,2,2,6,6-hexamethylpiperidin-4-amine.
What is the SMILES notation for 1,9-dihydroxy-2,2,4,8,8,10,10-heptamethyl-1,9-diazaspiro[5.5]undecane;1-hydroxy-2,2,4,6,6-pentamethylpiperidine;N-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)-N,1,2,2,6,6-hexamethylpiperidin-4-amine?
The canonical SMILES for 1,9-dihydroxy-2,2,4,8,8,10,10-heptamethyl-1,9-diazaspiro[5.5]undecane;1-hydroxy-2,2,4,6,6-pentamethylpiperidine;N-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)-N,1,2,2,6,6-hexamethylpiperidin-4-amine is CC1CC(C)(C)N(O)C(C)(C)C1.CC1CC(C)(C)N(O)C2(C1)CC(C)(C)N(O)C(C)(C)C2.CN(C1CC(C)(C)N(C)C(C)(C)C1)C1CC(C)(C)N(O)C(C)(C)C1.
What is the InChIKey of 1,9-dihydroxy-2,2,4,8,8,10,10-heptamethyl-1,9-diazaspiro[5.5]undecane;1-hydroxy-2,2,4,6,6-pentamethylpiperidine;N-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)-N,1,2,2,6,6-hexamethylpiperidin-4-amine?
The InChIKey is OIRONWMOLBKJNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H41N3O.C16H32N2O2.C10H21NO/c1-17(2)11-15(12-18(3,4)22(17)10)21(9)16-13-19(5,6)23(24)20(7,8)14-16;1-12-8-13(2,3)18(20)16(9-12)10-14(4,5)17(19)15(6,7)11-16;1-8-6-9(2,3)11(12)10(4,5)7-8/h15-16,24H,11-14H2,1-10H3;12,19-20H,8-11H2,1-7H3;8,12H,6-7H2,1-5H3.
What are the key properties of 1,9-dihydroxy-2,2,4,8,8,10,10-heptamethyl-1,9-diazaspiro[5.5]undecane;1-hydroxy-2,2,4,6,6-pentamethylpiperidine;N-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)-N,1,2,2,6,6-hexamethylpiperidin-4-amine?
1,9-dihydroxy-2,2,4,8,8,10,10-heptamethyl-1,9-diazaspiro[5.5]undecane;1-hydroxy-2,2,4,6,6-pentamethylpiperidine;N-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)-N,1,2,2,6,6-hexamethylpiperidin-4-amine has a molecular weight of 795.30 g/mol, XLogP of 10.31, 2 rotatable bonds, 4 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 1,9-dihydroxy-2,2,4,8,8,10,10-heptamethyl-1,9-diazaspiro[5.5]undecane;1-hydroxy-2,2,4,6,6-pentamethylpiperidine;N-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)-N,1,2,2,6,6-hexamethylpiperidin-4-amine is sourced from PubChem (CID 161349647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).