1-[4-(3-ethoxybut-3-enylamino)-2,2,6,6-tetramethylpiperidin-1-yl]oxy-2-methylpropan-2-ol

C19H38N2O3 — CID 142936631

IUPAC1-[4-(3-ethoxybut-3-enylamino)-2,2,6,6-tetramethylpiperidin-1-yl]oxy-2-methylpropan-2-ol
SMILESC=C(CCNC1CC(C)(C)N(OCC(C)(C)O)C(C)(C)C1)OCC
InChIInChI=1S/C19H38N2O3/c1-9-23-15(2)10-11-20-16-12-17(3,4)21(18(5,6)13-16)24-14-19(7,8)22/h16,20,22H,2,9-14H2,1,3-8H3
InChIKeySXRVEIUICSBYIE-UHFFFAOYSA-N
MW342.52 g/mol
LogP3.24
Rot. Bonds9

About 1-[4-(3-ethoxybut-3-enylamino)-2,2,6,6-tetramethylpiperidin-1-yl]oxy-2-methylpropan-2-ol

1-[4-(3-ethoxybut-3-enylamino)-2,2,6,6-tetramethylpiperidin-1-yl]oxy-2-methylpropan-2-ol (PubChem CID 142936631) has the molecular formula C19H38N2O3 and a molecular weight of 342.52 g/mol. Its IUPAC name is 1-[4-(3-ethoxybut-3-enylamino)-2,2,6,6-tetramethylpiperidin-1-yl]oxy-2-methylpropan-2-ol.

Molecular Properties

Compound Name1-[4-(3-ethoxybut-3-enylamino)-2,2,6,6-tetramethylpiperidin-1-yl]oxy-2-methylpropan-2-ol
PubChem CID142936631
Molecular FormulaC19H38N2O3
Molecular Weight342.52 g/mol
Exact Mass342.29
IUPAC Name1-[4-(3-ethoxybut-3-enylamino)-2,2,6,6-tetramethylpiperidin-1-yl]oxy-2-methylpropan-2-ol
SMILESC=C(CCNC1CC(C)(C)N(OCC(C)(C)O)C(C)(C)C1)OCC
InChIInChI=1S/C19H38N2O3/c1-9-23-15(2)10-11-20-16-12-17(3,4)21(18(5,6)13-16)24-14-19(7,8)22/h16,20,22H,2,9-14H2,1,3-8H3
InChIKeySXRVEIUICSBYIE-UHFFFAOYSA-N
XLogP3.24
TPSA53.96 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.52
LogP ≤ 53.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(3-ethoxybut-3-enylamino)-2,2,6,6-tetramethylpiperidin-1-yl]oxy-2-methylpropan-2-ol?
The IUPAC name of 1-[4-(3-ethoxybut-3-enylamino)-2,2,6,6-tetramethylpiperidin-1-yl]oxy-2-methylpropan-2-ol (CID 142936631) is 1-[4-(3-ethoxybut-3-enylamino)-2,2,6,6-tetramethylpiperidin-1-yl]oxy-2-methylpropan-2-ol.
What is the SMILES notation for 1-[4-(3-ethoxybut-3-enylamino)-2,2,6,6-tetramethylpiperidin-1-yl]oxy-2-methylpropan-2-ol?
The canonical SMILES for 1-[4-(3-ethoxybut-3-enylamino)-2,2,6,6-tetramethylpiperidin-1-yl]oxy-2-methylpropan-2-ol is C=C(CCNC1CC(C)(C)N(OCC(C)(C)O)C(C)(C)C1)OCC.
What is the InChIKey of 1-[4-(3-ethoxybut-3-enylamino)-2,2,6,6-tetramethylpiperidin-1-yl]oxy-2-methylpropan-2-ol?
The InChIKey is SXRVEIUICSBYIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H38N2O3/c1-9-23-15(2)10-11-20-16-12-17(3,4)21(18(5,6)13-16)24-14-19(7,8)22/h16,20,22H,2,9-14H2,1,3-8H3.
What are the key properties of 1-[4-(3-ethoxybut-3-enylamino)-2,2,6,6-tetramethylpiperidin-1-yl]oxy-2-methylpropan-2-ol?
1-[4-(3-ethoxybut-3-enylamino)-2,2,6,6-tetramethylpiperidin-1-yl]oxy-2-methylpropan-2-ol has a molecular weight of 342.52 g/mol, XLogP of 3.24, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(3-ethoxybut-3-enylamino)-2,2,6,6-tetramethylpiperidin-1-yl]oxy-2-methylpropan-2-ol is sourced from PubChem (CID 142936631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).