1-[1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidin-4-yl]ethanone

C13H25NO2 — CID 58171876

IUPAC1-[1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidin-4-yl]ethanone
SMILESCC(=O)C1CCN(CCOC(C)(C)C)CC1
InChIInChI=1S/C13H25NO2/c1-11(15)12-5-7-14(8-6-12)9-10-16-13(2,3)4/h12H,5-10H2,1-4H3
InChIKeyPNYTXYARNZBNSR-UHFFFAOYSA-N
MW227.35 g/mol
LogP2.10
Rot. Bonds4

About 1-[1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidin-4-yl]ethanone

1-[1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidin-4-yl]ethanone (PubChem CID 58171876) has the molecular formula C13H25NO2 and a molecular weight of 227.35 g/mol. Its IUPAC name is 1-[1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidin-4-yl]ethanone.

Molecular Properties

Compound Name1-[1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidin-4-yl]ethanone
PubChem CID58171876
Molecular FormulaC13H25NO2
Molecular Weight227.35 g/mol
Exact Mass227.19
IUPAC Name1-[1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidin-4-yl]ethanone
SMILESCC(=O)C1CCN(CCOC(C)(C)C)CC1
InChIInChI=1S/C13H25NO2/c1-11(15)12-5-7-14(8-6-12)9-10-16-13(2,3)4/h12H,5-10H2,1-4H3
InChIKeyPNYTXYARNZBNSR-UHFFFAOYSA-N
XLogP2.10
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.35
LogP ≤ 52.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidin-4-yl]ethanone?
The IUPAC name of 1-[1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidin-4-yl]ethanone (CID 58171876) is 1-[1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidin-4-yl]ethanone.
What is the SMILES notation for 1-[1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidin-4-yl]ethanone?
The canonical SMILES for 1-[1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidin-4-yl]ethanone is CC(=O)C1CCN(CCOC(C)(C)C)CC1.
What is the InChIKey of 1-[1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidin-4-yl]ethanone?
The InChIKey is PNYTXYARNZBNSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO2/c1-11(15)12-5-7-14(8-6-12)9-10-16-13(2,3)4/h12H,5-10H2,1-4H3.
What are the key properties of 1-[1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidin-4-yl]ethanone?
1-[1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidin-4-yl]ethanone has a molecular weight of 227.35 g/mol, XLogP of 2.10, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidin-4-yl]ethanone is sourced from PubChem (CID 58171876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).