4-[3-[2-[(3-fluorophenyl)methoxy]ethoxy]phenyl]piperidine

C20H24FNO2 — CID 91292775

IUPAC4-[3-[2-[(3-fluorophenyl)methoxy]ethoxy]phenyl]piperidine
SMILESFc1cccc(COCCOc2cccc(C3CCNCC3)c2)c1
InChIInChI=1S/C20H24FNO2/c21-19-5-1-3-16(13-19)15-23-11-12-24-20-6-2-4-18(14-20)17-7-9-22-10-8-17/h1-6,13-14,17,22H,7-12,15H2
InChIKeyTUVJRLHBYSPYLL-UHFFFAOYSA-N
MW329.42 g/mol
LogP3.89
Rot. Bonds7

About 4-[3-[2-[(3-fluorophenyl)methoxy]ethoxy]phenyl]piperidine

4-[3-[2-[(3-fluorophenyl)methoxy]ethoxy]phenyl]piperidine (PubChem CID 91292775) has the molecular formula C20H24FNO2 and a molecular weight of 329.42 g/mol. Its IUPAC name is 4-[3-[2-[(3-fluorophenyl)methoxy]ethoxy]phenyl]piperidine.

Molecular Properties

Compound Name4-[3-[2-[(3-fluorophenyl)methoxy]ethoxy]phenyl]piperidine
PubChem CID91292775
Molecular FormulaC20H24FNO2
Molecular Weight329.42 g/mol
Exact Mass329.18
IUPAC Name4-[3-[2-[(3-fluorophenyl)methoxy]ethoxy]phenyl]piperidine
SMILESFc1cccc(COCCOc2cccc(C3CCNCC3)c2)c1
InChIInChI=1S/C20H24FNO2/c21-19-5-1-3-16(13-19)15-23-11-12-24-20-6-2-4-18(14-20)17-7-9-22-10-8-17/h1-6,13-14,17,22H,7-12,15H2
InChIKeyTUVJRLHBYSPYLL-UHFFFAOYSA-N
XLogP3.89
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.42
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-fluoro-3-(2-phenylmethoxyethoxy)benzene
CID 71345378
4-[3-[(2,4-difluorophenoxy)methyl]phenyl]piperidine
CID 91166199
3-[3-(3,3-difluoropropoxy)phenyl]pyrrolidine
CID 84702599
4-(3-piperidin-4-ylphenyl)piperidine
CID 91123464
1-(2-ethoxyethoxymethyl)-3-fluorobenzene
CID 173202169
4-[3-[(2-methoxyphenoxy)methyl]phenyl]piperidine
CID 91230339
3-(3-ethoxyphenyl)pyrrolidine
CID 62064360
3-[3-(2-fluoroethoxy)phenyl]piperidine
CID 84688599
2-(3-cyclopropylphenoxy)ethanamine
CID 89209631
3-(3-pyrrolidin-3-ylphenoxy)propanoic acid
CID 115040765
4-[3-(2,2,2-trifluoroethyl)phenyl]piperidine
CID 84703850
3-(3-ethoxyphenyl)pyrrolidine;hydrochloride
CID 169498382

Frequently Asked Questions

What is the IUPAC name of 4-[3-[2-[(3-fluorophenyl)methoxy]ethoxy]phenyl]piperidine?
The IUPAC name of 4-[3-[2-[(3-fluorophenyl)methoxy]ethoxy]phenyl]piperidine (CID 91292775) is 4-[3-[2-[(3-fluorophenyl)methoxy]ethoxy]phenyl]piperidine.
What is the SMILES notation for 4-[3-[2-[(3-fluorophenyl)methoxy]ethoxy]phenyl]piperidine?
The canonical SMILES for 4-[3-[2-[(3-fluorophenyl)methoxy]ethoxy]phenyl]piperidine is Fc1cccc(COCCOc2cccc(C3CCNCC3)c2)c1.
What is the InChIKey of 4-[3-[2-[(3-fluorophenyl)methoxy]ethoxy]phenyl]piperidine?
The InChIKey is TUVJRLHBYSPYLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24FNO2/c21-19-5-1-3-16(13-19)15-23-11-12-24-20-6-2-4-18(14-20)17-7-9-22-10-8-17/h1-6,13-14,17,22H,7-12,15H2.
What are the key properties of 4-[3-[2-[(3-fluorophenyl)methoxy]ethoxy]phenyl]piperidine?
4-[3-[2-[(3-fluorophenyl)methoxy]ethoxy]phenyl]piperidine has a molecular weight of 329.42 g/mol, XLogP of 3.89, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[2-[(3-fluorophenyl)methoxy]ethoxy]phenyl]piperidine is sourced from PubChem (CID 91292775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).