1-[3-(ethoxymethyl)piperidin-1-yl]-2-(oxan-2-yl)ethanone

C15H27NO3 — CID 110610387

IUPAC1-[3-(ethoxymethyl)piperidin-1-yl]-2-(oxan-2-yl)ethanone
SMILESCCOCC1CCCN(C(=O)CC2CCCCO2)C1
InChIInChI=1S/C15H27NO3/c1-2-18-12-13-6-5-8-16(11-13)15(17)10-14-7-3-4-9-19-14/h13-14H,2-12H2,1H3
InChIKeyCOTJUORLOJCIGK-UHFFFAOYSA-N
MW269.38 g/mol
LogP2.22
Rot. Bonds5

About 1-[3-(ethoxymethyl)piperidin-1-yl]-2-(oxan-2-yl)ethanone

1-[3-(ethoxymethyl)piperidin-1-yl]-2-(oxan-2-yl)ethanone (PubChem CID 110610387) has the molecular formula C15H27NO3 and a molecular weight of 269.38 g/mol. Its IUPAC name is 1-[3-(ethoxymethyl)piperidin-1-yl]-2-(oxan-2-yl)ethanone.

Molecular Properties

Compound Name1-[3-(ethoxymethyl)piperidin-1-yl]-2-(oxan-2-yl)ethanone
PubChem CID110610387
Molecular FormulaC15H27NO3
Molecular Weight269.38 g/mol
Exact Mass269.20
IUPAC Name1-[3-(ethoxymethyl)piperidin-1-yl]-2-(oxan-2-yl)ethanone
SMILESCCOCC1CCCN(C(=O)CC2CCCCO2)C1
InChIInChI=1S/C15H27NO3/c1-2-18-12-13-6-5-8-16(11-13)15(17)10-14-7-3-4-9-19-14/h13-14H,2-12H2,1H3
InChIKeyCOTJUORLOJCIGK-UHFFFAOYSA-N
XLogP2.22
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.38
LogP ≤ 52.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[3-(ethoxymethyl)piperidin-1-yl]-2-(oxan-2-yl)ethanone?
The IUPAC name of 1-[3-(ethoxymethyl)piperidin-1-yl]-2-(oxan-2-yl)ethanone (CID 110610387) is 1-[3-(ethoxymethyl)piperidin-1-yl]-2-(oxan-2-yl)ethanone.
What is the SMILES notation for 1-[3-(ethoxymethyl)piperidin-1-yl]-2-(oxan-2-yl)ethanone?
The canonical SMILES for 1-[3-(ethoxymethyl)piperidin-1-yl]-2-(oxan-2-yl)ethanone is CCOCC1CCCN(C(=O)CC2CCCCO2)C1.
What is the InChIKey of 1-[3-(ethoxymethyl)piperidin-1-yl]-2-(oxan-2-yl)ethanone?
The InChIKey is COTJUORLOJCIGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27NO3/c1-2-18-12-13-6-5-8-16(11-13)15(17)10-14-7-3-4-9-19-14/h13-14H,2-12H2,1H3.
What are the key properties of 1-[3-(ethoxymethyl)piperidin-1-yl]-2-(oxan-2-yl)ethanone?
1-[3-(ethoxymethyl)piperidin-1-yl]-2-(oxan-2-yl)ethanone has a molecular weight of 269.38 g/mol, XLogP of 2.22, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(ethoxymethyl)piperidin-1-yl]-2-(oxan-2-yl)ethanone is sourced from PubChem (CID 110610387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).