4-[1-fluoro-2-(4-methoxyphenyl)ethyl]-1-[2-(3-methoxyphenyl)ethyl]piperidine

C23H30FNO2 — CID 90423652

IUPAC4-[1-fluoro-2-(4-methoxyphenyl)ethyl]-1-[2-(3-methoxyphenyl)ethyl]piperidine
SMILESCOc1ccc(CC(F)C2CCN(CCc3cccc(OC)c3)CC2)cc1
InChIInChI=1S/C23H30FNO2/c1-26-21-8-6-19(7-9-21)17-23(24)20-11-14-25(15-12-20)13-10-18-4-3-5-22(16-18)27-2/h3-9,16,20,23H,10-15,17H2,1-2H3
InChIKeyULBMYTKOPQBILJ-UHFFFAOYSA-N
MW371.50 g/mol
LogP4.54
Rot. Bonds8

About 4-[1-fluoro-2-(4-methoxyphenyl)ethyl]-1-[2-(3-methoxyphenyl)ethyl]piperidine

4-[1-fluoro-2-(4-methoxyphenyl)ethyl]-1-[2-(3-methoxyphenyl)ethyl]piperidine (PubChem CID 90423652) has the molecular formula C23H30FNO2 and a molecular weight of 371.50 g/mol. Its IUPAC name is 4-[1-fluoro-2-(4-methoxyphenyl)ethyl]-1-[2-(3-methoxyphenyl)ethyl]piperidine.

Molecular Properties

Compound Name4-[1-fluoro-2-(4-methoxyphenyl)ethyl]-1-[2-(3-methoxyphenyl)ethyl]piperidine
PubChem CID90423652
Molecular FormulaC23H30FNO2
Molecular Weight371.50 g/mol
Exact Mass371.23
IUPAC Name4-[1-fluoro-2-(4-methoxyphenyl)ethyl]-1-[2-(3-methoxyphenyl)ethyl]piperidine
SMILESCOc1ccc(CC(F)C2CCN(CCc3cccc(OC)c3)CC2)cc1
InChIInChI=1S/C23H30FNO2/c1-26-21-8-6-19(7-9-21)17-23(24)20-11-14-25(15-12-20)13-10-18-4-3-5-22(16-18)27-2/h3-9,16,20,23H,10-15,17H2,1-2H3
InChIKeyULBMYTKOPQBILJ-UHFFFAOYSA-N
XLogP4.54
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.50
LogP ≤ 54.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(3-methoxyphenyl)ethyl]-4-[2-(4-methoxyphenyl)ethyl]piperidine;hydrochloride
CID 127043453
1-[2-(3-methoxyphenyl)ethyl]piperidin-4-ol
CID 82083424
1-[2-(3-methoxyphenyl)ethyl]-N-propylpiperidin-4-amine
CID 107852949
1-[2-(3-methoxyphenyl)ethyl]pyrrolidin-3-amine
CID 82158725
1-[1-[2-(4-methoxyphenyl)ethyl]piperidin-4-yl]ethanamine;hydrochloride
CID 119920973
(4-methoxyphenyl)-[1-[2-(4-methoxyphenyl)ethyl]piperidin-4-yl]methanol
CID 54146924
2-(4-ethoxyphenyl)-1-[4-[2-(3-methoxyphenyl)ethyl]piperazin-1-yl]ethanone
CID 110412322
4-(methoxymethyl)-1-[3-(3-methoxyphenyl)propyl]piperidine
CID 71999972
4-(1-bromoethyl)-1-[(3-methoxyphenyl)methyl]piperidine
CID 106838408
1-[(3-methoxyphenyl)methyl]-4-[(4-methoxyphenyl)methyl]piperazine
CID 2873492
1-[3-(3-methoxyphenyl)propyl]-4-methylpiperazine
CID 170862318
[1-[2-(4-methoxyphenyl)ethyl]piperidin-4-yl] formate
CID 174365627

Frequently Asked Questions

What is the IUPAC name of 4-[1-fluoro-2-(4-methoxyphenyl)ethyl]-1-[2-(3-methoxyphenyl)ethyl]piperidine?
The IUPAC name of 4-[1-fluoro-2-(4-methoxyphenyl)ethyl]-1-[2-(3-methoxyphenyl)ethyl]piperidine (CID 90423652) is 4-[1-fluoro-2-(4-methoxyphenyl)ethyl]-1-[2-(3-methoxyphenyl)ethyl]piperidine.
What is the SMILES notation for 4-[1-fluoro-2-(4-methoxyphenyl)ethyl]-1-[2-(3-methoxyphenyl)ethyl]piperidine?
The canonical SMILES for 4-[1-fluoro-2-(4-methoxyphenyl)ethyl]-1-[2-(3-methoxyphenyl)ethyl]piperidine is COc1ccc(CC(F)C2CCN(CCc3cccc(OC)c3)CC2)cc1.
What is the InChIKey of 4-[1-fluoro-2-(4-methoxyphenyl)ethyl]-1-[2-(3-methoxyphenyl)ethyl]piperidine?
The InChIKey is ULBMYTKOPQBILJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30FNO2/c1-26-21-8-6-19(7-9-21)17-23(24)20-11-14-25(15-12-20)13-10-18-4-3-5-22(16-18)27-2/h3-9,16,20,23H,10-15,17H2,1-2H3.
What are the key properties of 4-[1-fluoro-2-(4-methoxyphenyl)ethyl]-1-[2-(3-methoxyphenyl)ethyl]piperidine?
4-[1-fluoro-2-(4-methoxyphenyl)ethyl]-1-[2-(3-methoxyphenyl)ethyl]piperidine has a molecular weight of 371.50 g/mol, XLogP of 4.54, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-fluoro-2-(4-methoxyphenyl)ethyl]-1-[2-(3-methoxyphenyl)ethyl]piperidine is sourced from PubChem (CID 90423652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).