4-[(4-ethoxypiperidin-1-yl)methyl]-2,2,5,5-tetramethyloxolan-3-amine

C16H32N2O2 — CID 79934177

IUPAC4-[(4-ethoxypiperidin-1-yl)methyl]-2,2,5,5-tetramethyloxolan-3-amine
SMILESCCOC1CCN(CC2C(N)C(C)(C)OC2(C)C)CC1
InChIInChI=1S/C16H32N2O2/c1-6-19-12-7-9-18(10-8-12)11-13-14(17)16(4,5)20-15(13,2)3/h12-14H,6-11,17H2,1-5H3
InChIKeyKKUUJVFISVZBDI-UHFFFAOYSA-N
MW284.44 g/mol
LogP2.02
Rot. Bonds4

About 4-[(4-ethoxypiperidin-1-yl)methyl]-2,2,5,5-tetramethyloxolan-3-amine

4-[(4-ethoxypiperidin-1-yl)methyl]-2,2,5,5-tetramethyloxolan-3-amine (PubChem CID 79934177) has the molecular formula C16H32N2O2 and a molecular weight of 284.44 g/mol. Its IUPAC name is 4-[(4-ethoxypiperidin-1-yl)methyl]-2,2,5,5-tetramethyloxolan-3-amine.

Molecular Properties

Compound Name4-[(4-ethoxypiperidin-1-yl)methyl]-2,2,5,5-tetramethyloxolan-3-amine
PubChem CID79934177
Molecular FormulaC16H32N2O2
Molecular Weight284.44 g/mol
Exact Mass284.25
IUPAC Name4-[(4-ethoxypiperidin-1-yl)methyl]-2,2,5,5-tetramethyloxolan-3-amine
SMILESCCOC1CCN(CC2C(N)C(C)(C)OC2(C)C)CC1
InChIInChI=1S/C16H32N2O2/c1-6-19-12-7-9-18(10-8-12)11-13-14(17)16(4,5)20-15(13,2)3/h12-14H,6-11,17H2,1-5H3
InChIKeyKKUUJVFISVZBDI-UHFFFAOYSA-N
XLogP2.02
TPSA47.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.44
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[(4-ethoxypiperidin-1-yl)methyl]-2,2,5,5-tetramethyloxolan-3-amine?
The IUPAC name of 4-[(4-ethoxypiperidin-1-yl)methyl]-2,2,5,5-tetramethyloxolan-3-amine (CID 79934177) is 4-[(4-ethoxypiperidin-1-yl)methyl]-2,2,5,5-tetramethyloxolan-3-amine.
What is the SMILES notation for 4-[(4-ethoxypiperidin-1-yl)methyl]-2,2,5,5-tetramethyloxolan-3-amine?
The canonical SMILES for 4-[(4-ethoxypiperidin-1-yl)methyl]-2,2,5,5-tetramethyloxolan-3-amine is CCOC1CCN(CC2C(N)C(C)(C)OC2(C)C)CC1.
What is the InChIKey of 4-[(4-ethoxypiperidin-1-yl)methyl]-2,2,5,5-tetramethyloxolan-3-amine?
The InChIKey is KKUUJVFISVZBDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N2O2/c1-6-19-12-7-9-18(10-8-12)11-13-14(17)16(4,5)20-15(13,2)3/h12-14H,6-11,17H2,1-5H3.
What are the key properties of 4-[(4-ethoxypiperidin-1-yl)methyl]-2,2,5,5-tetramethyloxolan-3-amine?
4-[(4-ethoxypiperidin-1-yl)methyl]-2,2,5,5-tetramethyloxolan-3-amine has a molecular weight of 284.44 g/mol, XLogP of 2.02, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-ethoxypiperidin-1-yl)methyl]-2,2,5,5-tetramethyloxolan-3-amine is sourced from PubChem (CID 79934177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).