2-(3-fluorophenyl)-1-[4-(2-phenylmethoxyethoxy)piperidin-1-yl]ethanone

C22H26FNO3 — CID 91907818

IUPAC2-(3-fluorophenyl)-1-[4-(2-phenylmethoxyethoxy)piperidin-1-yl]ethanone
SMILESO=C(Cc1cccc(F)c1)N1CCC(OCCOCc2ccccc2)CC1
InChIInChI=1S/C22H26FNO3/c23-20-8-4-7-19(15-20)16-22(25)24-11-9-21(10-12-24)27-14-13-26-17-18-5-2-1-3-6-18/h1-8,15,21H,9-14,16-17H2
InChIKeyVMNUQSWHEXBPKT-UHFFFAOYSA-N
MW371.45 g/mol
LogP3.59
Rot. Bonds8

About 2-(3-fluorophenyl)-1-[4-(2-phenylmethoxyethoxy)piperidin-1-yl]ethanone

2-(3-fluorophenyl)-1-[4-(2-phenylmethoxyethoxy)piperidin-1-yl]ethanone (PubChem CID 91907818) has the molecular formula C22H26FNO3 and a molecular weight of 371.45 g/mol. Its IUPAC name is 2-(3-fluorophenyl)-1-[4-(2-phenylmethoxyethoxy)piperidin-1-yl]ethanone.

Molecular Properties

Compound Name2-(3-fluorophenyl)-1-[4-(2-phenylmethoxyethoxy)piperidin-1-yl]ethanone
PubChem CID91907818
Molecular FormulaC22H26FNO3
Molecular Weight371.45 g/mol
Exact Mass371.19
IUPAC Name2-(3-fluorophenyl)-1-[4-(2-phenylmethoxyethoxy)piperidin-1-yl]ethanone
SMILESO=C(Cc1cccc(F)c1)N1CCC(OCCOCc2ccccc2)CC1
InChIInChI=1S/C22H26FNO3/c23-20-8-4-7-19(15-20)16-22(25)24-11-9-21(10-12-24)27-14-13-26-17-18-5-2-1-3-6-18/h1-8,15,21H,9-14,16-17H2
InChIKeyVMNUQSWHEXBPKT-UHFFFAOYSA-N
XLogP3.59
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.45
LogP ≤ 53.59
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-(3-aminopropoxy)piperidin-1-yl]-2-(3-fluorophenyl)ethanone
CID 79736194
1-[4-(2-hydroxyethoxy)piperidin-1-yl]-2-phenylmethoxyethanone
CID 82016141
2-(3-fluorophenyl)-1-[4-(4-methylphenoxy)piperidin-1-yl]ethanone
CID 50846863
(1-phenylcyclopropyl)-[4-(2-phenylmethoxyethoxy)piperidin-1-yl]methanone
CID 91907819
2-(4-hydroxyphenyl)-1-(4-phenylmethoxypiperidin-1-yl)ethanone
CID 78828531
1-(4-fluorophenyl)sulfonyl-4-(2-phenylmethoxyethoxy)piperidine
CID 91918358
N-benzyl-1-[2-(3-fluorophenyl)acetyl]piperidine-4-carboxamide
CID 113003928
2-(3-bromophenyl)-1-[4-(2-hydroxyethoxy)piperidin-1-yl]ethanone
CID 82691138
1-[4-(2-bromoethoxy)piperidin-1-yl]-2-(3-bromophenyl)ethanone
CID 82701483
4-(2-phenylmethoxyethoxy)-N-propylpiperidine-1-carboxamide
CID 91918376
4-[1-[2-(3-fluorophenyl)acetyl]piperidine-4-carbonyl]piperazine-1-carbaldehyde
CID 113003789
ethyl 1-[2-(3-fluorophenyl)acetyl]piperidine-4-carboxylate
CID 43404272

Frequently Asked Questions

What is the IUPAC name of 2-(3-fluorophenyl)-1-[4-(2-phenylmethoxyethoxy)piperidin-1-yl]ethanone?
The IUPAC name of 2-(3-fluorophenyl)-1-[4-(2-phenylmethoxyethoxy)piperidin-1-yl]ethanone (CID 91907818) is 2-(3-fluorophenyl)-1-[4-(2-phenylmethoxyethoxy)piperidin-1-yl]ethanone.
What is the SMILES notation for 2-(3-fluorophenyl)-1-[4-(2-phenylmethoxyethoxy)piperidin-1-yl]ethanone?
The canonical SMILES for 2-(3-fluorophenyl)-1-[4-(2-phenylmethoxyethoxy)piperidin-1-yl]ethanone is O=C(Cc1cccc(F)c1)N1CCC(OCCOCc2ccccc2)CC1.
What is the InChIKey of 2-(3-fluorophenyl)-1-[4-(2-phenylmethoxyethoxy)piperidin-1-yl]ethanone?
The InChIKey is VMNUQSWHEXBPKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26FNO3/c23-20-8-4-7-19(15-20)16-22(25)24-11-9-21(10-12-24)27-14-13-26-17-18-5-2-1-3-6-18/h1-8,15,21H,9-14,16-17H2.
What are the key properties of 2-(3-fluorophenyl)-1-[4-(2-phenylmethoxyethoxy)piperidin-1-yl]ethanone?
2-(3-fluorophenyl)-1-[4-(2-phenylmethoxyethoxy)piperidin-1-yl]ethanone has a molecular weight of 371.45 g/mol, XLogP of 3.59, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluorophenyl)-1-[4-(2-phenylmethoxyethoxy)piperidin-1-yl]ethanone is sourced from PubChem (CID 91907818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).