1-[4-(2-ethoxyethoxy)piperidin-1-yl]propan-1-one

C12H23NO3 — CID 60775999

IUPAC1-[4-(2-ethoxyethoxy)piperidin-1-yl]propan-1-one
SMILESCCOCCOC1CCN(C(=O)CC)CC1
InChIInChI=1S/C12H23NO3/c1-3-12(14)13-7-5-11(6-8-13)16-10-9-15-4-2/h11H,3-10H2,1-2H3
InChIKeyHUZUWAQYITVBNX-UHFFFAOYSA-N
MW229.32 g/mol
LogP1.44
Rot. Bonds6

About 1-[4-(2-ethoxyethoxy)piperidin-1-yl]propan-1-one

1-[4-(2-ethoxyethoxy)piperidin-1-yl]propan-1-one (PubChem CID 60775999) has the molecular formula C12H23NO3 and a molecular weight of 229.32 g/mol. Its IUPAC name is 1-[4-(2-ethoxyethoxy)piperidin-1-yl]propan-1-one.

Molecular Properties

Compound Name1-[4-(2-ethoxyethoxy)piperidin-1-yl]propan-1-one
PubChem CID60775999
Molecular FormulaC12H23NO3
Molecular Weight229.32 g/mol
Exact Mass229.17
IUPAC Name1-[4-(2-ethoxyethoxy)piperidin-1-yl]propan-1-one
SMILESCCOCCOC1CCN(C(=O)CC)CC1
InChIInChI=1S/C12H23NO3/c1-3-12(14)13-7-5-11(6-8-13)16-10-9-15-4-2/h11H,3-10H2,1-2H3
InChIKeyHUZUWAQYITVBNX-UHFFFAOYSA-N
XLogP1.44
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.32
LogP ≤ 51.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-[4-(2-pentoxyethoxy)piperidin-1-yl]propan-1-one
CID 164557491
1-(4-ethoxypiperidin-1-yl)propan-1-one
CID 53016317
ethyl 4-[4-(2-ethoxyethoxy)piperidin-1-yl]-4-oxobutanoate
CID 60776132
4-amino-1-[4-(2-ethoxyethoxy)piperidin-1-yl]butan-1-one
CID 54872251
1-(4-butoxypiperidin-1-yl)propan-1-one
CID 156794583
2-(azetidin-3-yl)-1-[4-(2-ethoxyethoxy)piperidin-1-yl]ethanone
CID 64611799
3-(cyclopropylamino)-1-[4-(2-ethoxyethoxy)piperidin-1-yl]propan-1-one
CID 60947240
1-[4-(2-ethoxyethoxy)piperidin-1-yl]-2-(prop-2-ynylamino)ethanone
CID 79286410
methyl 3-(1-propanoylpiperidin-4-yl)oxypropanoate
CID 143455323
2-[1-(aminomethyl)cyclobutyl]-1-[4-(2-ethoxyethoxy)piperidin-1-yl]ethanone
CID 81172632
2-[1-(3-ethoxypropanoyl)piperidin-4-yl]oxyacetic acid
CID 63869733
(2S)-2-amino-1-[4-(2-ethoxyethoxy)piperidin-1-yl]-3,3-dimethylbutan-1-one
CID 61164340

Frequently Asked Questions

What is the IUPAC name of 1-[4-(2-ethoxyethoxy)piperidin-1-yl]propan-1-one?
The IUPAC name of 1-[4-(2-ethoxyethoxy)piperidin-1-yl]propan-1-one (CID 60775999) is 1-[4-(2-ethoxyethoxy)piperidin-1-yl]propan-1-one.
What is the SMILES notation for 1-[4-(2-ethoxyethoxy)piperidin-1-yl]propan-1-one?
The canonical SMILES for 1-[4-(2-ethoxyethoxy)piperidin-1-yl]propan-1-one is CCOCCOC1CCN(C(=O)CC)CC1.
What is the InChIKey of 1-[4-(2-ethoxyethoxy)piperidin-1-yl]propan-1-one?
The InChIKey is HUZUWAQYITVBNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO3/c1-3-12(14)13-7-5-11(6-8-13)16-10-9-15-4-2/h11H,3-10H2,1-2H3.
What are the key properties of 1-[4-(2-ethoxyethoxy)piperidin-1-yl]propan-1-one?
1-[4-(2-ethoxyethoxy)piperidin-1-yl]propan-1-one has a molecular weight of 229.32 g/mol, XLogP of 1.44, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2-ethoxyethoxy)piperidin-1-yl]propan-1-one is sourced from PubChem (CID 60775999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).