1-[2-(3,4-dimethoxyphenyl)ethenyl]-4-[2-(2-fluorophenoxy)ethyl]piperidine

C23H28FNO3 — CID 174650212

IUPAC1-[2-(3,4-dimethoxyphenyl)ethenyl]-4-[2-(2-fluorophenoxy)ethyl]piperidine
SMILESCOc1ccc(C=CN2CCC(CCOc3ccccc3F)CC2)cc1OC
InChIInChI=1S/C23H28FNO3/c1-26-22-8-7-19(17-23(22)27-2)11-15-25-13-9-18(10-14-25)12-16-28-21-6-4-3-5-20(21)24/h3-8,11,15,17-18H,9-10,12-14,16H2,1-2H3
InChIKeyUQALSPXKDJOCJR-UHFFFAOYSA-N
MW385.48 g/mol
LogP4.99
Rot. Bonds8

About 1-[2-(3,4-dimethoxyphenyl)ethenyl]-4-[2-(2-fluorophenoxy)ethyl]piperidine

1-[2-(3,4-dimethoxyphenyl)ethenyl]-4-[2-(2-fluorophenoxy)ethyl]piperidine (PubChem CID 174650212) has the molecular formula C23H28FNO3 and a molecular weight of 385.48 g/mol. Its IUPAC name is 1-[2-(3,4-dimethoxyphenyl)ethenyl]-4-[2-(2-fluorophenoxy)ethyl]piperidine.

Molecular Properties

Compound Name1-[2-(3,4-dimethoxyphenyl)ethenyl]-4-[2-(2-fluorophenoxy)ethyl]piperidine
PubChem CID174650212
Molecular FormulaC23H28FNO3
Molecular Weight385.48 g/mol
Exact Mass385.21
IUPAC Name1-[2-(3,4-dimethoxyphenyl)ethenyl]-4-[2-(2-fluorophenoxy)ethyl]piperidine
SMILESCOc1ccc(C=CN2CCC(CCOc3ccccc3F)CC2)cc1OC
InChIInChI=1S/C23H28FNO3/c1-26-22-8-7-19(17-23(22)27-2)11-15-25-13-9-18(10-14-25)12-16-28-21-6-4-3-5-20(21)24/h3-8,11,15,17-18H,9-10,12-14,16H2,1-2H3
InChIKeyUQALSPXKDJOCJR-UHFFFAOYSA-N
XLogP4.99
TPSA30.93 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.48
LogP ≤ 54.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[4-[2-(2-fluorophenoxy)ethyl]piperidin-1-yl]ethanone
CID 53150747
2-(3,4-dimethoxyphenyl)-1-[4-[(2-fluorophenoxy)methyl]piperidin-1-yl]ethanone
CID 110639019
1-[2-(4-chlorophenoxy)ethyl]-4-[2-(3,4-dimethoxyphenyl)ethenyl]piperazine
CID 174661941
1-[2-(4-chlorophenoxy)ethyl]-4-[2-(3,4-dimethoxyphenyl)ethenyl]piperazine;dihydrochloride
CID 174662009
cyclohexyl-[4-[2-(2-fluorophenoxy)ethyl]piperidin-1-yl]methanone
CID 53037979
5-methyl-3-[2-[1-[(E)-2-naphthalen-2-ylethenyl]piperidin-4-yl]ethoxy]-1,2-benzoxazole
CID 22068394
1-(6-cyclopropylhexoxy)-2-fluorobenzene
CID 91224434
1-[4-(2-fluorophenoxy)butoxy]-2-methoxy-4-methylbenzene
CID 2899565
[4-[2-(2-fluorophenoxy)ethyl]piperidin-1-yl]-(5-methylthiophen-2-yl)methanone
CID 50846846
3-methoxy-4-[2-(2-methoxyphenoxy)ethoxy]benzaldehyde
CID 3738735
(3,4-dimethoxyphenyl)-[4-[2-(2-fluorophenoxy)ethyl]piperazin-1-yl]methanone
CID 32577025
1-[2-(2-fluorophenoxy)ethyl-methylamino]-3-(2-methoxy-4-prop-1-enylphenoxy)propan-2-ol
CID 55436564

Frequently Asked Questions

What is the IUPAC name of 1-[2-(3,4-dimethoxyphenyl)ethenyl]-4-[2-(2-fluorophenoxy)ethyl]piperidine?
The IUPAC name of 1-[2-(3,4-dimethoxyphenyl)ethenyl]-4-[2-(2-fluorophenoxy)ethyl]piperidine (CID 174650212) is 1-[2-(3,4-dimethoxyphenyl)ethenyl]-4-[2-(2-fluorophenoxy)ethyl]piperidine.
What is the SMILES notation for 1-[2-(3,4-dimethoxyphenyl)ethenyl]-4-[2-(2-fluorophenoxy)ethyl]piperidine?
The canonical SMILES for 1-[2-(3,4-dimethoxyphenyl)ethenyl]-4-[2-(2-fluorophenoxy)ethyl]piperidine is COc1ccc(C=CN2CCC(CCOc3ccccc3F)CC2)cc1OC.
What is the InChIKey of 1-[2-(3,4-dimethoxyphenyl)ethenyl]-4-[2-(2-fluorophenoxy)ethyl]piperidine?
The InChIKey is UQALSPXKDJOCJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28FNO3/c1-26-22-8-7-19(17-23(22)27-2)11-15-25-13-9-18(10-14-25)12-16-28-21-6-4-3-5-20(21)24/h3-8,11,15,17-18H,9-10,12-14,16H2,1-2H3.
What are the key properties of 1-[2-(3,4-dimethoxyphenyl)ethenyl]-4-[2-(2-fluorophenoxy)ethyl]piperidine?
1-[2-(3,4-dimethoxyphenyl)ethenyl]-4-[2-(2-fluorophenoxy)ethyl]piperidine has a molecular weight of 385.48 g/mol, XLogP of 4.99, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3,4-dimethoxyphenyl)ethenyl]-4-[2-(2-fluorophenoxy)ethyl]piperidine is sourced from PubChem (CID 174650212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).