[4-(2-ethoxyethoxy)piperidin-1-yl]-(4-fluorophenyl)methanone

C16H22FNO3 — CID 60776153

IUPAC[4-(2-ethoxyethoxy)piperidin-1-yl]-(4-fluorophenyl)methanone
SMILESCCOCCOC1CCN(C(=O)c2ccc(F)cc2)CC1
InChIInChI=1S/C16H22FNO3/c1-2-20-11-12-21-15-7-9-18(10-8-15)16(19)13-3-5-14(17)6-4-13/h3-6,15H,2,7-12H2,1H3
InChIKeyWDAIWIQRVCDTEN-UHFFFAOYSA-N
MW295.35 g/mol
LogP2.48
Rot. Bonds6

About [4-(2-ethoxyethoxy)piperidin-1-yl]-(4-fluorophenyl)methanone

[4-(2-ethoxyethoxy)piperidin-1-yl]-(4-fluorophenyl)methanone (PubChem CID 60776153) has the molecular formula C16H22FNO3 and a molecular weight of 295.35 g/mol. Its IUPAC name is [4-(2-ethoxyethoxy)piperidin-1-yl]-(4-fluorophenyl)methanone.

Molecular Properties

Compound Name[4-(2-ethoxyethoxy)piperidin-1-yl]-(4-fluorophenyl)methanone
PubChem CID60776153
Molecular FormulaC16H22FNO3
Molecular Weight295.35 g/mol
Exact Mass295.16
IUPAC Name[4-(2-ethoxyethoxy)piperidin-1-yl]-(4-fluorophenyl)methanone
SMILESCCOCCOC1CCN(C(=O)c2ccc(F)cc2)CC1
InChIInChI=1S/C16H22FNO3/c1-2-20-11-12-21-15-7-9-18(10-8-15)16(19)13-3-5-14(17)6-4-13/h3-6,15H,2,7-12H2,1H3
InChIKeyWDAIWIQRVCDTEN-UHFFFAOYSA-N
XLogP2.48
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.35
LogP ≤ 52.48
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-Benzoyl-1-piperazinyl)-1-propanone
CID 4223812
Benzoylpiperidine
CID 69892
1-(3,4-Difluorobenzoyl)-4-methylpiperazine
CID 550711
N-Benzoylmorpholine
CID 15114
N-Benzoyl-4-piperidone
CID 90583
(4-Benzylpiperidin-1-yl)(2-fluorophenyl)methanone
CID 667749
[4-(4-Fluoro-benzoyl)-piperidin-1-yl]-phenyl-methanone
CID 1437062
1,4-Dioxa-8-azaspiro[4.5]dec-8-yl(2-fluorophenyl)methanone
CID 1991451
4-(2,3-Difluoro-4-methylbenzoyl)morpholine
CID 2210872
8-(4-Fluorobenzoyl)-1,4-dioxa-8-azaspiro[4.5]decane
CID 2241021
N-(2-Fluorobenzoyl)morpholine
CID 531931
N-(4-Fluorobenzoyl)morpholine
CID 531951

Frequently Asked Questions

What is the IUPAC name of [4-(2-ethoxyethoxy)piperidin-1-yl]-(4-fluorophenyl)methanone?
The IUPAC name of [4-(2-ethoxyethoxy)piperidin-1-yl]-(4-fluorophenyl)methanone (CID 60776153) is [4-(2-ethoxyethoxy)piperidin-1-yl]-(4-fluorophenyl)methanone.
What is the SMILES notation for [4-(2-ethoxyethoxy)piperidin-1-yl]-(4-fluorophenyl)methanone?
The canonical SMILES for [4-(2-ethoxyethoxy)piperidin-1-yl]-(4-fluorophenyl)methanone is CCOCCOC1CCN(C(=O)c2ccc(F)cc2)CC1.
What is the InChIKey of [4-(2-ethoxyethoxy)piperidin-1-yl]-(4-fluorophenyl)methanone?
The InChIKey is WDAIWIQRVCDTEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22FNO3/c1-2-20-11-12-21-15-7-9-18(10-8-15)16(19)13-3-5-14(17)6-4-13/h3-6,15H,2,7-12H2,1H3.
What are the key properties of [4-(2-ethoxyethoxy)piperidin-1-yl]-(4-fluorophenyl)methanone?
[4-(2-ethoxyethoxy)piperidin-1-yl]-(4-fluorophenyl)methanone has a molecular weight of 295.35 g/mol, XLogP of 2.48, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-ethoxyethoxy)piperidin-1-yl]-(4-fluorophenyl)methanone is sourced from PubChem (CID 60776153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).