1-[4-(4-aminobutyl)-2,2,6,6-tetramethylpiperidin-1-yl]oxy-2-methylpropan-2-ol

C17H36N2O2 — CID 141007745

IUPAC1-[4-(4-aminobutyl)-2,2,6,6-tetramethylpiperidin-1-yl]oxy-2-methylpropan-2-ol
SMILESCC(C)(O)CON1C(C)(C)CC(CCCCN)CC1(C)C
InChIInChI=1S/C17H36N2O2/c1-15(2)11-14(9-7-8-10-18)12-16(3,4)19(15)21-13-17(5,6)20/h14,20H,7-13,18H2,1-6H3
InChIKeyRGOBDBCLKGHBJK-UHFFFAOYSA-N
MW300.49 g/mol
LogP3.09
Rot. Bonds7

About 1-[4-(4-aminobutyl)-2,2,6,6-tetramethylpiperidin-1-yl]oxy-2-methylpropan-2-ol

1-[4-(4-aminobutyl)-2,2,6,6-tetramethylpiperidin-1-yl]oxy-2-methylpropan-2-ol (PubChem CID 141007745) has the molecular formula C17H36N2O2 and a molecular weight of 300.49 g/mol. Its IUPAC name is 1-[4-(4-aminobutyl)-2,2,6,6-tetramethylpiperidin-1-yl]oxy-2-methylpropan-2-ol.

Molecular Properties

Compound Name1-[4-(4-aminobutyl)-2,2,6,6-tetramethylpiperidin-1-yl]oxy-2-methylpropan-2-ol
PubChem CID141007745
Molecular FormulaC17H36N2O2
Molecular Weight300.49 g/mol
Exact Mass300.28
IUPAC Name1-[4-(4-aminobutyl)-2,2,6,6-tetramethylpiperidin-1-yl]oxy-2-methylpropan-2-ol
SMILESCC(C)(O)CON1C(C)(C)CC(CCCCN)CC1(C)C
InChIInChI=1S/C17H36N2O2/c1-15(2)11-14(9-7-8-10-18)12-16(3,4)19(15)21-13-17(5,6)20/h14,20H,7-13,18H2,1-6H3
InChIKeyRGOBDBCLKGHBJK-UHFFFAOYSA-N
XLogP3.09
TPSA58.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.49
LogP ≤ 53.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(4-aminobutyl)-2,2,6,6-tetramethylpiperidin-1-yl]oxy-2-methylpropan-2-ol?
The IUPAC name of 1-[4-(4-aminobutyl)-2,2,6,6-tetramethylpiperidin-1-yl]oxy-2-methylpropan-2-ol (CID 141007745) is 1-[4-(4-aminobutyl)-2,2,6,6-tetramethylpiperidin-1-yl]oxy-2-methylpropan-2-ol.
What is the SMILES notation for 1-[4-(4-aminobutyl)-2,2,6,6-tetramethylpiperidin-1-yl]oxy-2-methylpropan-2-ol?
The canonical SMILES for 1-[4-(4-aminobutyl)-2,2,6,6-tetramethylpiperidin-1-yl]oxy-2-methylpropan-2-ol is CC(C)(O)CON1C(C)(C)CC(CCCCN)CC1(C)C.
What is the InChIKey of 1-[4-(4-aminobutyl)-2,2,6,6-tetramethylpiperidin-1-yl]oxy-2-methylpropan-2-ol?
The InChIKey is RGOBDBCLKGHBJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H36N2O2/c1-15(2)11-14(9-7-8-10-18)12-16(3,4)19(15)21-13-17(5,6)20/h14,20H,7-13,18H2,1-6H3.
What are the key properties of 1-[4-(4-aminobutyl)-2,2,6,6-tetramethylpiperidin-1-yl]oxy-2-methylpropan-2-ol?
1-[4-(4-aminobutyl)-2,2,6,6-tetramethylpiperidin-1-yl]oxy-2-methylpropan-2-ol has a molecular weight of 300.49 g/mol, XLogP of 3.09, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4-aminobutyl)-2,2,6,6-tetramethylpiperidin-1-yl]oxy-2-methylpropan-2-ol is sourced from PubChem (CID 141007745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).