[4-(2-methoxyethoxy)piperidin-1-yl]-phenylmethanone

C15H21NO3 — CID 91918281

IUPAC[4-(2-methoxyethoxy)piperidin-1-yl]-phenylmethanone
SMILESCOCCOC1CCN(C(=O)c2ccccc2)CC1
InChIInChI=1S/C15H21NO3/c1-18-11-12-19-14-7-9-16(10-8-14)15(17)13-5-3-2-4-6-13/h2-6,14H,7-12H2,1H3
InChIKeyDQFZBUWGULSNLD-UHFFFAOYSA-N
MW263.34 g/mol
LogP1.95
Rot. Bonds5

About [4-(2-methoxyethoxy)piperidin-1-yl]-phenylmethanone

[4-(2-methoxyethoxy)piperidin-1-yl]-phenylmethanone (PubChem CID 91918281) has the molecular formula C15H21NO3 and a molecular weight of 263.34 g/mol. Its IUPAC name is [4-(2-methoxyethoxy)piperidin-1-yl]-phenylmethanone.

Molecular Properties

Compound Name[4-(2-methoxyethoxy)piperidin-1-yl]-phenylmethanone
PubChem CID91918281
Molecular FormulaC15H21NO3
Molecular Weight263.34 g/mol
Exact Mass263.15
IUPAC Name[4-(2-methoxyethoxy)piperidin-1-yl]-phenylmethanone
SMILESCOCCOC1CCN(C(=O)c2ccccc2)CC1
InChIInChI=1S/C15H21NO3/c1-18-11-12-19-14-7-9-16(10-8-14)15(17)13-5-3-2-4-6-13/h2-6,14H,7-12H2,1H3
InChIKeyDQFZBUWGULSNLD-UHFFFAOYSA-N
XLogP1.95
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 51.95
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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Frequently Asked Questions

What is the IUPAC name of [4-(2-methoxyethoxy)piperidin-1-yl]-phenylmethanone?
The IUPAC name of [4-(2-methoxyethoxy)piperidin-1-yl]-phenylmethanone (CID 91918281) is [4-(2-methoxyethoxy)piperidin-1-yl]-phenylmethanone.
What is the SMILES notation for [4-(2-methoxyethoxy)piperidin-1-yl]-phenylmethanone?
The canonical SMILES for [4-(2-methoxyethoxy)piperidin-1-yl]-phenylmethanone is COCCOC1CCN(C(=O)c2ccccc2)CC1.
What is the InChIKey of [4-(2-methoxyethoxy)piperidin-1-yl]-phenylmethanone?
The InChIKey is DQFZBUWGULSNLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO3/c1-18-11-12-19-14-7-9-16(10-8-14)15(17)13-5-3-2-4-6-13/h2-6,14H,7-12H2,1H3.
What are the key properties of [4-(2-methoxyethoxy)piperidin-1-yl]-phenylmethanone?
[4-(2-methoxyethoxy)piperidin-1-yl]-phenylmethanone has a molecular weight of 263.34 g/mol, XLogP of 1.95, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-methoxyethoxy)piperidin-1-yl]-phenylmethanone is sourced from PubChem (CID 91918281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).