2-(4-Fluorophenyl)-1-(4-{2-[(3-fluorophenyl)methoxy]ethyl}piperidin-1-YL)ethan-1-one

C22H25F2NO2 — CID 53150639

IUPAC2-(4-fluorophenyl)-1-[4-[2-[(3-fluorophenyl)methoxy]ethyl]piperidin-1-yl]ethanone
SMILESC1CN(CCC1CCOCC2=CC(=CC=C2)F)C(=O)CC3=CC=C(C=C3)F
InChIInChI=1S/C22H25F2NO2/c23-20-6-4-18(5-7-20)15-22(26)25-11-8-17(9-12-25)10-13-27-16-19-2-1-3-21(24)14-19/h1-7,14,17H,8-13,15-16H2
InChIKeyTZVAVYXYXUZQPF-UHFFFAOYSA-N
MW373.40 g/mol
LogP4.00
Rot. Bonds7

About 2-(4-Fluorophenyl)-1-(4-{2-[(3-fluorophenyl)methoxy]ethyl}piperidin-1-YL)ethan-1-one

2-(4-Fluorophenyl)-1-(4-{2-[(3-fluorophenyl)methoxy]ethyl}piperidin-1-YL)ethan-1-one (PubChem CID 53150639) has the molecular formula C22H25F2NO2 and a molecular weight of 373.40 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-1-[4-[2-[(3-fluorophenyl)methoxy]ethyl]piperidin-1-yl]ethanone.

Molecular Properties

Compound Name2-(4-Fluorophenyl)-1-(4-{2-[(3-fluorophenyl)methoxy]ethyl}piperidin-1-YL)ethan-1-one
PubChem CID53150639
Molecular FormulaC22H25F2NO2
Molecular Weight373.40 g/mol
Exact Mass373.19
IUPAC Name2-(4-fluorophenyl)-1-[4-[2-[(3-fluorophenyl)methoxy]ethyl]piperidin-1-yl]ethanone
SMILESC1CN(CCC1CCOCC2=CC(=CC=C2)F)C(=O)CC3=CC=C(C=C3)F
InChIInChI=1S/C22H25F2NO2/c23-20-6-4-18(5-7-20)15-22(26)25-11-8-17(9-12-25)10-13-27-16-19-2-1-3-21(24)14-19/h1-7,14,17H,8-13,15-16H2
InChIKeyTZVAVYXYXUZQPF-UHFFFAOYSA-N
XLogP4.00
TPSA29.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity446

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.40
LogP ≤ 54.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-(4-Fluorophenyl)-1-(4-{2-[(3-fluorophenyl)methoxy]ethyl}piperidin-1-YL)ethan-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2-Fluorophenyl)methyl 1-acetyl-4-phenylpiperidine-4-carboxylate
CID 4963714
1-[4-(2-Benzhydryloxy-ethyl)-piperidin-1-yl]-2-phenyl-ethanone
CID 10549679
[2-(4-Benzylpiperidin-1-yl)-2-oxoethyl] 2-fluorobenzoate
CID 2333993
[1-(3-Phenylpropyl)piperidin-3-yl]methyl 2-fluorobenzoate
CID 44348080
2-Trifluoromethyl-benzoic acid 1-(3-phenyl-propyl)-piperidin-3-ylmethyl ester
CID 44348090
2-(4-Benzyloxy-cyclohexa-1,3-dienyl)-N-methyl-N-phenethyl-acetamide
CID 44356239
[1-(3-Phenylpropanoyl)piperidin-3-yl]methyl 2-(trifluoromethyl)benzoate
CID 57399584
(3,4-Difluorophenyl)(2-phenylmorpholino)methanone
CID 16894709
2-(4-fluorophenyl)-N-(2-oxo-2-(2-phenylmorpholino)ethyl)acetamide
CID 16894772
(3-((Benzyloxy)methyl)piperidin-1-yl)(3-(trifluoromethyl)phenyl)methanone
CID 49669932
(4-((Benzyloxy)methyl)piperidin-1-yl)(2-fluorophenyl)methanone
CID 49677779
1-(4-((Benzyloxy)methyl)piperidin-1-yl)-2-(4-fluorophenyl)ethanone
CID 49677786

Frequently Asked Questions

What is the IUPAC name of 2-(4-Fluorophenyl)-1-(4-{2-[(3-fluorophenyl)methoxy]ethyl}piperidin-1-YL)ethan-1-one?
The IUPAC name of 2-(4-Fluorophenyl)-1-(4-{2-[(3-fluorophenyl)methoxy]ethyl}piperidin-1-YL)ethan-1-one (CID 53150639) is 2-(4-fluorophenyl)-1-[4-[2-[(3-fluorophenyl)methoxy]ethyl]piperidin-1-yl]ethanone.
What is the SMILES notation for 2-(4-Fluorophenyl)-1-(4-{2-[(3-fluorophenyl)methoxy]ethyl}piperidin-1-YL)ethan-1-one?
The canonical SMILES for 2-(4-Fluorophenyl)-1-(4-{2-[(3-fluorophenyl)methoxy]ethyl}piperidin-1-YL)ethan-1-one is C1CN(CCC1CCOCC2=CC(=CC=C2)F)C(=O)CC3=CC=C(C=C3)F.
What is the InChIKey of 2-(4-Fluorophenyl)-1-(4-{2-[(3-fluorophenyl)methoxy]ethyl}piperidin-1-YL)ethan-1-one?
The InChIKey is TZVAVYXYXUZQPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25F2NO2/c23-20-6-4-18(5-7-20)15-22(26)25-11-8-17(9-12-25)10-13-27-16-19-2-1-3-21(24)14-19/h1-7,14,17H,8-13,15-16H2.
What are the key properties of 2-(4-Fluorophenyl)-1-(4-{2-[(3-fluorophenyl)methoxy]ethyl}piperidin-1-YL)ethan-1-one?
2-(4-Fluorophenyl)-1-(4-{2-[(3-fluorophenyl)methoxy]ethyl}piperidin-1-YL)ethan-1-one has a molecular weight of 373.40 g/mol, XLogP of 4.00, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-Fluorophenyl)-1-(4-{2-[(3-fluorophenyl)methoxy]ethyl}piperidin-1-YL)ethan-1-one is sourced from PubChem (CID 53150639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).