sodium;1,2,2,6,6-pentamethyl-N-(1,2,2,6,6-pentamethylpiperidin-4-yl)piperidin-4-amine;hydroxide

C20H42N3NaO — CID 175384927

IUPACsodium;1,2,2,6,6-pentamethyl-N-(1,2,2,6,6-pentamethylpiperidin-4-yl)piperidin-4-amine;hydroxide
SMILESCN1C(C)(C)CC(NC2CC(C)(C)N(C)C(C)(C)C2)CC1(C)C.[Na+].[OH-]
InChIInChI=1S/C20H41N3.Na.H2O/c1-17(2)11-15(12-18(3,4)22(17)9)21-16-13-19(5,6)23(10)20(7,8)14-16;;/h15-16,21H,11-14H2,1-10H3;;1H2/q;+1;/p-1
InChIKeyGAIUGUZJWAUSHD-UHFFFAOYSA-M
MW363.57 g/mol
LogP0.71
Rot. Bonds2

About sodium;1,2,2,6,6-pentamethyl-N-(1,2,2,6,6-pentamethylpiperidin-4-yl)piperidin-4-amine;hydroxide

sodium;1,2,2,6,6-pentamethyl-N-(1,2,2,6,6-pentamethylpiperidin-4-yl)piperidin-4-amine;hydroxide (PubChem CID 175384927) has the molecular formula C20H42N3NaO and a molecular weight of 363.57 g/mol. Its IUPAC name is sodium;1,2,2,6,6-pentamethyl-N-(1,2,2,6,6-pentamethylpiperidin-4-yl)piperidin-4-amine;hydroxide.

Molecular Properties

Compound Namesodium;1,2,2,6,6-pentamethyl-N-(1,2,2,6,6-pentamethylpiperidin-4-yl)piperidin-4-amine;hydroxide
PubChem CID175384927
Molecular FormulaC20H42N3NaO
Molecular Weight363.57 g/mol
Exact Mass363.32
IUPAC Namesodium;1,2,2,6,6-pentamethyl-N-(1,2,2,6,6-pentamethylpiperidin-4-yl)piperidin-4-amine;hydroxide
SMILESCN1C(C)(C)CC(NC2CC(C)(C)N(C)C(C)(C)C2)CC1(C)C.[Na+].[OH-]
InChIInChI=1S/C20H41N3.Na.H2O/c1-17(2)11-15(12-18(3,4)22(17)9)21-16-13-19(5,6)23(10)20(7,8)14-16;;/h15-16,21H,11-14H2,1-10H3;;1H2/q;+1;/p-1
InChIKeyGAIUGUZJWAUSHD-UHFFFAOYSA-M
XLogP0.71
TPSA48.51 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.57
LogP ≤ 50.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of sodium;1,2,2,6,6-pentamethyl-N-(1,2,2,6,6-pentamethylpiperidin-4-yl)piperidin-4-amine;hydroxide?
The IUPAC name of sodium;1,2,2,6,6-pentamethyl-N-(1,2,2,6,6-pentamethylpiperidin-4-yl)piperidin-4-amine;hydroxide (CID 175384927) is sodium;1,2,2,6,6-pentamethyl-N-(1,2,2,6,6-pentamethylpiperidin-4-yl)piperidin-4-amine;hydroxide.
What is the SMILES notation for sodium;1,2,2,6,6-pentamethyl-N-(1,2,2,6,6-pentamethylpiperidin-4-yl)piperidin-4-amine;hydroxide?
The canonical SMILES for sodium;1,2,2,6,6-pentamethyl-N-(1,2,2,6,6-pentamethylpiperidin-4-yl)piperidin-4-amine;hydroxide is CN1C(C)(C)CC(NC2CC(C)(C)N(C)C(C)(C)C2)CC1(C)C.[Na+].[OH-].
What is the InChIKey of sodium;1,2,2,6,6-pentamethyl-N-(1,2,2,6,6-pentamethylpiperidin-4-yl)piperidin-4-amine;hydroxide?
The InChIKey is GAIUGUZJWAUSHD-UHFFFAOYSA-M. The full InChI is InChI=1S/C20H41N3.Na.H2O/c1-17(2)11-15(12-18(3,4)22(17)9)21-16-13-19(5,6)23(10)20(7,8)14-16;;/h15-16,21H,11-14H2,1-10H3;;1H2/q;+1;/p-1.
What are the key properties of sodium;1,2,2,6,6-pentamethyl-N-(1,2,2,6,6-pentamethylpiperidin-4-yl)piperidin-4-amine;hydroxide?
sodium;1,2,2,6,6-pentamethyl-N-(1,2,2,6,6-pentamethylpiperidin-4-yl)piperidin-4-amine;hydroxide has a molecular weight of 363.57 g/mol, XLogP of 0.71, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;1,2,2,6,6-pentamethyl-N-(1,2,2,6,6-pentamethylpiperidin-4-yl)piperidin-4-amine;hydroxide is sourced from PubChem (CID 175384927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).