(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)-dimethyl-[3-(trimethylazaniumyl)propyl]azanium

C17H39N3O+2 — CID 134338102

IUPAC(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)-dimethyl-[3-(trimethylazaniumyl)propyl]azanium
SMILESCC1(C)CC([N+](C)(C)CCC[N+](C)(C)C)CC(C)(C)N1O
InChIInChI=1S/C17H39N3O/c1-16(2)13-15(14-17(3,4)18(16)21)20(8,9)12-10-11-19(5,6)7/h15,21H,10-14H2,1-9H3/q+2
InChIKeyURFVHWTWOWNPNF-UHFFFAOYSA-N
MW301.52 g/mol
LogP2.57
Rot. Bonds5

About (1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)-dimethyl-[3-(trimethylazaniumyl)propyl]azanium

(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)-dimethyl-[3-(trimethylazaniumyl)propyl]azanium (PubChem CID 134338102) has the molecular formula C17H39N3O+2 and a molecular weight of 301.52 g/mol. Its IUPAC name is (1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)-dimethyl-[3-(trimethylazaniumyl)propyl]azanium.

Molecular Properties

Compound Name(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)-dimethyl-[3-(trimethylazaniumyl)propyl]azanium
PubChem CID134338102
Molecular FormulaC17H39N3O+2
Molecular Weight301.52 g/mol
Exact Mass301.31
IUPAC Name(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)-dimethyl-[3-(trimethylazaniumyl)propyl]azanium
SMILESCC1(C)CC([N+](C)(C)CCC[N+](C)(C)C)CC(C)(C)N1O
InChIInChI=1S/C17H39N3O/c1-16(2)13-15(14-17(3,4)18(16)21)20(8,9)12-10-11-19(5,6)7/h15,21H,10-14H2,1-9H3/q+2
InChIKeyURFVHWTWOWNPNF-UHFFFAOYSA-N
XLogP2.57
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.52
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)-dimethyl-[3-(trimethylazaniumyl)propyl]azanium?
The IUPAC name of (1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)-dimethyl-[3-(trimethylazaniumyl)propyl]azanium (CID 134338102) is (1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)-dimethyl-[3-(trimethylazaniumyl)propyl]azanium.
What is the SMILES notation for (1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)-dimethyl-[3-(trimethylazaniumyl)propyl]azanium?
The canonical SMILES for (1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)-dimethyl-[3-(trimethylazaniumyl)propyl]azanium is CC1(C)CC([N+](C)(C)CCC[N+](C)(C)C)CC(C)(C)N1O.
What is the InChIKey of (1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)-dimethyl-[3-(trimethylazaniumyl)propyl]azanium?
The InChIKey is URFVHWTWOWNPNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H39N3O/c1-16(2)13-15(14-17(3,4)18(16)21)20(8,9)12-10-11-19(5,6)7/h15,21H,10-14H2,1-9H3/q+2.
What are the key properties of (1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)-dimethyl-[3-(trimethylazaniumyl)propyl]azanium?
(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)-dimethyl-[3-(trimethylazaniumyl)propyl]azanium has a molecular weight of 301.52 g/mol, XLogP of 2.57, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)-dimethyl-[3-(trimethylazaniumyl)propyl]azanium is sourced from PubChem (CID 134338102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).