3,3-dimethyl-1-[2-[2-[4-[(2-methylpropan-2-yl)oxy]piperidin-1-yl]ethoxy]ethoxy]butan-2-one

C19H37NO4 — CID 169289811

IUPAC3,3-dimethyl-1-[2-[2-[4-[(2-methylpropan-2-yl)oxy]piperidin-1-yl]ethoxy]ethoxy]butan-2-one
SMILESCC(C)(C)OC1CCN(CCOCCOCC(=O)C(C)(C)C)CC1
InChIInChI=1S/C19H37NO4/c1-18(2,3)17(21)15-23-14-13-22-12-11-20-9-7-16(8-10-20)24-19(4,5)6/h16H,7-15H2,1-6H3
InChIKeySKMPIHZIBVVJQB-UHFFFAOYSA-N
MW343.51 g/mol
LogP2.91
Rot. Bonds9

About 3,3-dimethyl-1-[2-[2-[4-[(2-methylpropan-2-yl)oxy]piperidin-1-yl]ethoxy]ethoxy]butan-2-one

3,3-dimethyl-1-[2-[2-[4-[(2-methylpropan-2-yl)oxy]piperidin-1-yl]ethoxy]ethoxy]butan-2-one (PubChem CID 169289811) has the molecular formula C19H37NO4 and a molecular weight of 343.51 g/mol. Its IUPAC name is 3,3-dimethyl-1-[2-[2-[4-[(2-methylpropan-2-yl)oxy]piperidin-1-yl]ethoxy]ethoxy]butan-2-one.

Molecular Properties

Compound Name3,3-dimethyl-1-[2-[2-[4-[(2-methylpropan-2-yl)oxy]piperidin-1-yl]ethoxy]ethoxy]butan-2-one
PubChem CID169289811
Molecular FormulaC19H37NO4
Molecular Weight343.51 g/mol
Exact Mass343.27
IUPAC Name3,3-dimethyl-1-[2-[2-[4-[(2-methylpropan-2-yl)oxy]piperidin-1-yl]ethoxy]ethoxy]butan-2-one
SMILESCC(C)(C)OC1CCN(CCOCCOCC(=O)C(C)(C)C)CC1
InChIInChI=1S/C19H37NO4/c1-18(2,3)17(21)15-23-14-13-22-12-11-20-9-7-16(8-10-20)24-19(4,5)6/h16H,7-15H2,1-6H3
InChIKeySKMPIHZIBVVJQB-UHFFFAOYSA-N
XLogP2.91
TPSA48.00 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.51
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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 3,3-dimethyl-1-[2-[2-[4-[(2-methylpropan-2-yl)oxy]piperidin-1-yl]ethoxy]ethoxy]butan-2-one?
The IUPAC name of 3,3-dimethyl-1-[2-[2-[4-[(2-methylpropan-2-yl)oxy]piperidin-1-yl]ethoxy]ethoxy]butan-2-one (CID 169289811) is 3,3-dimethyl-1-[2-[2-[4-[(2-methylpropan-2-yl)oxy]piperidin-1-yl]ethoxy]ethoxy]butan-2-one.
What is the SMILES notation for 3,3-dimethyl-1-[2-[2-[4-[(2-methylpropan-2-yl)oxy]piperidin-1-yl]ethoxy]ethoxy]butan-2-one?
The canonical SMILES for 3,3-dimethyl-1-[2-[2-[4-[(2-methylpropan-2-yl)oxy]piperidin-1-yl]ethoxy]ethoxy]butan-2-one is CC(C)(C)OC1CCN(CCOCCOCC(=O)C(C)(C)C)CC1.
What is the InChIKey of 3,3-dimethyl-1-[2-[2-[4-[(2-methylpropan-2-yl)oxy]piperidin-1-yl]ethoxy]ethoxy]butan-2-one?
The InChIKey is SKMPIHZIBVVJQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H37NO4/c1-18(2,3)17(21)15-23-14-13-22-12-11-20-9-7-16(8-10-20)24-19(4,5)6/h16H,7-15H2,1-6H3.
What are the key properties of 3,3-dimethyl-1-[2-[2-[4-[(2-methylpropan-2-yl)oxy]piperidin-1-yl]ethoxy]ethoxy]butan-2-one?
3,3-dimethyl-1-[2-[2-[4-[(2-methylpropan-2-yl)oxy]piperidin-1-yl]ethoxy]ethoxy]butan-2-one has a molecular weight of 343.51 g/mol, XLogP of 2.91, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-1-[2-[2-[4-[(2-methylpropan-2-yl)oxy]piperidin-1-yl]ethoxy]ethoxy]butan-2-one is sourced from PubChem (CID 169289811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).