1-[(5-ethylfuran-2-yl)methyl]-4-(2-methoxyethoxy)piperidine

C15H25NO3 — CID 77088248

IUPAC1-[(5-ethylfuran-2-yl)methyl]-4-(2-methoxyethoxy)piperidine
SMILESCCc1ccc(CN2CCC(OCCOC)CC2)o1
InChIInChI=1S/C15H25NO3/c1-3-13-4-5-15(19-13)12-16-8-6-14(7-9-16)18-11-10-17-2/h4-5,14H,3,6-12H2,1-2H3
InChIKeyIJZULBNJCBOQQA-UHFFFAOYSA-N
MW267.37 g/mol
LogP2.47
Rot. Bonds7

About 1-[(5-ethylfuran-2-yl)methyl]-4-(2-methoxyethoxy)piperidine

1-[(5-ethylfuran-2-yl)methyl]-4-(2-methoxyethoxy)piperidine (PubChem CID 77088248) has the molecular formula C15H25NO3 and a molecular weight of 267.37 g/mol. Its IUPAC name is 1-[(5-ethylfuran-2-yl)methyl]-4-(2-methoxyethoxy)piperidine.

Molecular Properties

Compound Name1-[(5-ethylfuran-2-yl)methyl]-4-(2-methoxyethoxy)piperidine
PubChem CID77088248
Molecular FormulaC15H25NO3
Molecular Weight267.37 g/mol
Exact Mass267.18
IUPAC Name1-[(5-ethylfuran-2-yl)methyl]-4-(2-methoxyethoxy)piperidine
SMILESCCc1ccc(CN2CCC(OCCOC)CC2)o1
InChIInChI=1S/C15H25NO3/c1-3-13-4-5-15(19-13)12-16-8-6-14(7-9-16)18-11-10-17-2/h4-5,14H,3,6-12H2,1-2H3
InChIKeyIJZULBNJCBOQQA-UHFFFAOYSA-N
XLogP2.47
TPSA34.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.37
LogP ≤ 52.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[(5-ethylfuran-2-yl)methyl]-4-(2-methoxyethoxy)piperidine?
The IUPAC name of 1-[(5-ethylfuran-2-yl)methyl]-4-(2-methoxyethoxy)piperidine (CID 77088248) is 1-[(5-ethylfuran-2-yl)methyl]-4-(2-methoxyethoxy)piperidine.
What is the SMILES notation for 1-[(5-ethylfuran-2-yl)methyl]-4-(2-methoxyethoxy)piperidine?
The canonical SMILES for 1-[(5-ethylfuran-2-yl)methyl]-4-(2-methoxyethoxy)piperidine is CCc1ccc(CN2CCC(OCCOC)CC2)o1.
What is the InChIKey of 1-[(5-ethylfuran-2-yl)methyl]-4-(2-methoxyethoxy)piperidine?
The InChIKey is IJZULBNJCBOQQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO3/c1-3-13-4-5-15(19-13)12-16-8-6-14(7-9-16)18-11-10-17-2/h4-5,14H,3,6-12H2,1-2H3.
What are the key properties of 1-[(5-ethylfuran-2-yl)methyl]-4-(2-methoxyethoxy)piperidine?
1-[(5-ethylfuran-2-yl)methyl]-4-(2-methoxyethoxy)piperidine has a molecular weight of 267.37 g/mol, XLogP of 2.47, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-ethylfuran-2-yl)methyl]-4-(2-methoxyethoxy)piperidine is sourced from PubChem (CID 77088248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).