2-methoxy-1-piperidin-1-ylethanone

C8H15NO2 — CID 12863611

IUPAC2-methoxy-1-piperidin-1-ylethanone
SMILESCOCC(=O)N1CCCCC1
InChIInChI=1S/C8H15NO2/c1-11-7-8(10)9-5-3-2-4-6-9/h2-7H2,1H3
InChIKeyDTZGIEPOXONIFT-UHFFFAOYSA-N
MW157.21 g/mol
LogP0.65
Rot. Bonds2

About 2-methoxy-1-piperidin-1-ylethanone

2-methoxy-1-piperidin-1-ylethanone (PubChem CID 12863611) has the molecular formula C8H15NO2 and a molecular weight of 157.21 g/mol. Its IUPAC name is 2-methoxy-1-piperidin-1-ylethanone.

Molecular Properties

Compound Name2-methoxy-1-piperidin-1-ylethanone
PubChem CID12863611
Molecular FormulaC8H15NO2
Molecular Weight157.21 g/mol
Exact Mass157.11
IUPAC Name2-methoxy-1-piperidin-1-ylethanone
SMILESCOCC(=O)N1CCCCC1
InChIInChI=1S/C8H15NO2/c1-11-7-8(10)9-5-3-2-4-6-9/h2-7H2,1H3
InChIKeyDTZGIEPOXONIFT-UHFFFAOYSA-N
XLogP0.65
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.21
LogP ≤ 50.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-1-piperidin-1-ylethanone?
The IUPAC name of 2-methoxy-1-piperidin-1-ylethanone (CID 12863611) is 2-methoxy-1-piperidin-1-ylethanone.
What is the SMILES notation for 2-methoxy-1-piperidin-1-ylethanone?
The canonical SMILES for 2-methoxy-1-piperidin-1-ylethanone is COCC(=O)N1CCCCC1.
What is the InChIKey of 2-methoxy-1-piperidin-1-ylethanone?
The InChIKey is DTZGIEPOXONIFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO2/c1-11-7-8(10)9-5-3-2-4-6-9/h2-7H2,1H3.
What are the key properties of 2-methoxy-1-piperidin-1-ylethanone?
2-methoxy-1-piperidin-1-ylethanone has a molecular weight of 157.21 g/mol, XLogP of 0.65, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-1-piperidin-1-ylethanone is sourced from PubChem (CID 12863611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).