2-ethyl-1-[4-(2-methoxyethyl)piperidin-1-yl]butan-1-one

C14H27NO2 — CID 53150825

IUPAC2-ethyl-1-[4-(2-methoxyethyl)piperidin-1-yl]butan-1-one
SMILESCCC(CC)C(=O)N1CCC(CCOC)CC1
InChIInChI=1S/C14H27NO2/c1-4-13(5-2)14(16)15-9-6-12(7-10-15)8-11-17-3/h12-13H,4-11H2,1-3H3
InChIKeyXASSCHIRBOERQA-UHFFFAOYSA-N
MW241.37 g/mol
LogP2.70
Rot. Bonds6

About 2-ethyl-1-[4-(2-methoxyethyl)piperidin-1-yl]butan-1-one

2-ethyl-1-[4-(2-methoxyethyl)piperidin-1-yl]butan-1-one (PubChem CID 53150825) has the molecular formula C14H27NO2 and a molecular weight of 241.37 g/mol. Its IUPAC name is 2-ethyl-1-[4-(2-methoxyethyl)piperidin-1-yl]butan-1-one.

Molecular Properties

Compound Name2-ethyl-1-[4-(2-methoxyethyl)piperidin-1-yl]butan-1-one
PubChem CID53150825
Molecular FormulaC14H27NO2
Molecular Weight241.37 g/mol
Exact Mass241.20
IUPAC Name2-ethyl-1-[4-(2-methoxyethyl)piperidin-1-yl]butan-1-one
SMILESCCC(CC)C(=O)N1CCC(CCOC)CC1
InChIInChI=1S/C14H27NO2/c1-4-13(5-2)14(16)15-9-6-12(7-10-15)8-11-17-3/h12-13H,4-11H2,1-3H3
InChIKeyXASSCHIRBOERQA-UHFFFAOYSA-N
XLogP2.70
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.37
LogP ≤ 52.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-1-[4-(2-methoxyethyl)piperidin-1-yl]butan-1-one?
The IUPAC name of 2-ethyl-1-[4-(2-methoxyethyl)piperidin-1-yl]butan-1-one (CID 53150825) is 2-ethyl-1-[4-(2-methoxyethyl)piperidin-1-yl]butan-1-one.
What is the SMILES notation for 2-ethyl-1-[4-(2-methoxyethyl)piperidin-1-yl]butan-1-one?
The canonical SMILES for 2-ethyl-1-[4-(2-methoxyethyl)piperidin-1-yl]butan-1-one is CCC(CC)C(=O)N1CCC(CCOC)CC1.
What is the InChIKey of 2-ethyl-1-[4-(2-methoxyethyl)piperidin-1-yl]butan-1-one?
The InChIKey is XASSCHIRBOERQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO2/c1-4-13(5-2)14(16)15-9-6-12(7-10-15)8-11-17-3/h12-13H,4-11H2,1-3H3.
What are the key properties of 2-ethyl-1-[4-(2-methoxyethyl)piperidin-1-yl]butan-1-one?
2-ethyl-1-[4-(2-methoxyethyl)piperidin-1-yl]butan-1-one has a molecular weight of 241.37 g/mol, XLogP of 2.70, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-1-[4-(2-methoxyethyl)piperidin-1-yl]butan-1-one is sourced from PubChem (CID 53150825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).