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

C17H36N2O2 — CID 141007741

IUPAC1-[4-(1-aminobutan-2-yl)-2,2,6,6-tetramethylpiperidin-1-yl]oxy-2-methylpropan-2-ol
SMILESCCC(CN)C1CC(C)(C)N(OCC(C)(C)O)C(C)(C)C1
InChIInChI=1S/C17H36N2O2/c1-8-13(11-18)14-9-15(2,3)19(16(4,5)10-14)21-12-17(6,7)20/h13-14,20H,8-12,18H2,1-7H3
InChIKeyUIXVYJWCBHVHSC-UHFFFAOYSA-N
MW300.49 g/mol
LogP2.94
Rot. Bonds6

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

1-[4-(1-aminobutan-2-yl)-2,2,6,6-tetramethylpiperidin-1-yl]oxy-2-methylpropan-2-ol (PubChem CID 141007741) has the molecular formula C17H36N2O2 and a molecular weight of 300.49 g/mol. Its IUPAC name is 1-[4-(1-aminobutan-2-yl)-2,2,6,6-tetramethylpiperidin-1-yl]oxy-2-methylpropan-2-ol.

Molecular Properties

Compound Name1-[4-(1-aminobutan-2-yl)-2,2,6,6-tetramethylpiperidin-1-yl]oxy-2-methylpropan-2-ol
PubChem CID141007741
Molecular FormulaC17H36N2O2
Molecular Weight300.49 g/mol
Exact Mass300.28
IUPAC Name1-[4-(1-aminobutan-2-yl)-2,2,6,6-tetramethylpiperidin-1-yl]oxy-2-methylpropan-2-ol
SMILESCCC(CN)C1CC(C)(C)N(OCC(C)(C)O)C(C)(C)C1
InChIInChI=1S/C17H36N2O2/c1-8-13(11-18)14-9-15(2,3)19(16(4,5)10-14)21-12-17(6,7)20/h13-14,20H,8-12,18H2,1-7H3
InChIKeyUIXVYJWCBHVHSC-UHFFFAOYSA-N
XLogP2.94
TPSA58.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.49
LogP ≤ 52.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(1-aminobutan-2-yl)-2,2,6,6-tetramethylpiperidin-1-yl]oxy-2-methylpropan-2-ol?
The IUPAC name of 1-[4-(1-aminobutan-2-yl)-2,2,6,6-tetramethylpiperidin-1-yl]oxy-2-methylpropan-2-ol (CID 141007741) is 1-[4-(1-aminobutan-2-yl)-2,2,6,6-tetramethylpiperidin-1-yl]oxy-2-methylpropan-2-ol.
What is the SMILES notation for 1-[4-(1-aminobutan-2-yl)-2,2,6,6-tetramethylpiperidin-1-yl]oxy-2-methylpropan-2-ol?
The canonical SMILES for 1-[4-(1-aminobutan-2-yl)-2,2,6,6-tetramethylpiperidin-1-yl]oxy-2-methylpropan-2-ol is CCC(CN)C1CC(C)(C)N(OCC(C)(C)O)C(C)(C)C1.
What is the InChIKey of 1-[4-(1-aminobutan-2-yl)-2,2,6,6-tetramethylpiperidin-1-yl]oxy-2-methylpropan-2-ol?
The InChIKey is UIXVYJWCBHVHSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H36N2O2/c1-8-13(11-18)14-9-15(2,3)19(16(4,5)10-14)21-12-17(6,7)20/h13-14,20H,8-12,18H2,1-7H3.
What are the key properties of 1-[4-(1-aminobutan-2-yl)-2,2,6,6-tetramethylpiperidin-1-yl]oxy-2-methylpropan-2-ol?
1-[4-(1-aminobutan-2-yl)-2,2,6,6-tetramethylpiperidin-1-yl]oxy-2-methylpropan-2-ol has a molecular weight of 300.49 g/mol, XLogP of 2.94, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(1-aminobutan-2-yl)-2,2,6,6-tetramethylpiperidin-1-yl]oxy-2-methylpropan-2-ol is sourced from PubChem (CID 141007741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).