4-[2-[4-[2-(6-fluorocyclohexa-1,5-dien-1-yl)oxyethyl]piperidin-1-yl]ethyl]-2-methoxyphenol

C22H30FNO3 — CID 70830462

IUPAC4-[2-[4-[2-(6-fluorocyclohexa-1,5-dien-1-yl)oxyethyl]piperidin-1-yl]ethyl]-2-methoxyphenol
SMILESCOc1cc(CCN2CCC(CCOC3=CCCC=C3F)CC2)ccc1O
InChIInChI=1S/C22H30FNO3/c1-26-22-16-18(6-7-20(22)25)10-14-24-12-8-17(9-13-24)11-15-27-21-5-3-2-4-19(21)23/h4-7,16-17,25H,2-3,8-15H2,1H3
InChIKeyIENQYLJQLCYBRY-UHFFFAOYSA-N
MW375.48 g/mol
LogP4.59
Rot. Bonds8

About 4-[2-[4-[2-(6-fluorocyclohexa-1,5-dien-1-yl)oxyethyl]piperidin-1-yl]ethyl]-2-methoxyphenol

4-[2-[4-[2-(6-fluorocyclohexa-1,5-dien-1-yl)oxyethyl]piperidin-1-yl]ethyl]-2-methoxyphenol (PubChem CID 70830462) has the molecular formula C22H30FNO3 and a molecular weight of 375.48 g/mol. Its IUPAC name is 4-[2-[4-[2-(6-fluorocyclohexa-1,5-dien-1-yl)oxyethyl]piperidin-1-yl]ethyl]-2-methoxyphenol.

Molecular Properties

Compound Name4-[2-[4-[2-(6-fluorocyclohexa-1,5-dien-1-yl)oxyethyl]piperidin-1-yl]ethyl]-2-methoxyphenol
PubChem CID70830462
Molecular FormulaC22H30FNO3
Molecular Weight375.48 g/mol
Exact Mass375.22
IUPAC Name4-[2-[4-[2-(6-fluorocyclohexa-1,5-dien-1-yl)oxyethyl]piperidin-1-yl]ethyl]-2-methoxyphenol
SMILESCOc1cc(CCN2CCC(CCOC3=CCCC=C3F)CC2)ccc1O
InChIInChI=1S/C22H30FNO3/c1-26-22-16-18(6-7-20(22)25)10-14-24-12-8-17(9-13-24)11-15-27-21-5-3-2-4-19(21)23/h4-7,16-17,25H,2-3,8-15H2,1H3
InChIKeyIENQYLJQLCYBRY-UHFFFAOYSA-N
XLogP4.59
TPSA41.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.48
LogP ≤ 54.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-[2-[4-[2-(6-fluorocyclohexa-1,5-dien-1-yl)oxyethyl]piperidin-1-yl]ethyl]-2-methoxyphenol with MolForge

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Related Compounds

1-[2-(3,4-dimethoxyphenyl)ethyl]-4-[2-[4-(trifluoromethoxy)phenoxy]ethyl]piperidine
CID 54591726
1-[2-(3,4-dimethoxyphenyl)ethyl]-4-[2-(4-phenylphenoxy)ethyl]piperidine
CID 54591654
2-methoxy-4-[3-(3-piperidin-1-ylpropoxy)propyl]phenol
CID 11978505
4-[[[1-[2-(2-fluorophenyl)ethyl]piperidin-4-yl]methyl-methylamino]methyl]-2-methoxyphenol
CID 26406188
1-[2-(4-chloro-3-methoxyphenyl)ethyl]-4-(2-phenoxyethyl)piperidine;1-[2-(3-chlorophenyl)ethyl]-4-(2-phenoxyethyl)piperidine;1-[2-(3-methylphenyl)ethyl]-4-(2-phenoxyethyl)piperidine
CID 87632669
1-[2-(3,4-dimethoxyphenyl)ethyl]-N-methylpiperidin-4-amine
CID 43315161
2-methoxy-4-[[2-(1-methylpiperidin-4-yl)ethylamino]methyl]phenol
CID 115978550
4-[3-(4-benzylpiperidin-1-yl)butyl]-2-methoxyphenol;ethane
CID 144539907
2-methoxy-4-[(4-methylpiperidin-1-yl)methyl]phenol
CID 82974482
5-[[[1-[2-(3-fluorophenyl)ethyl]piperidin-4-yl]methyl-methylamino]methyl]-2-methoxyphenol
CID 25303878
3,4-dichloro-N-[2-[1-[2-(3,4-dimethoxyphenyl)ethyl]piperidin-4-yl]ethyl]aniline
CID 66996313
2-methoxy-4-[2-[4-(2-phenyl-1H-indol-3-yl)piperidin-1-yl]ethyl]phenol
CID 18354698

Frequently Asked Questions

What is the IUPAC name of 4-[2-[4-[2-(6-fluorocyclohexa-1,5-dien-1-yl)oxyethyl]piperidin-1-yl]ethyl]-2-methoxyphenol?
The IUPAC name of 4-[2-[4-[2-(6-fluorocyclohexa-1,5-dien-1-yl)oxyethyl]piperidin-1-yl]ethyl]-2-methoxyphenol (CID 70830462) is 4-[2-[4-[2-(6-fluorocyclohexa-1,5-dien-1-yl)oxyethyl]piperidin-1-yl]ethyl]-2-methoxyphenol.
What is the SMILES notation for 4-[2-[4-[2-(6-fluorocyclohexa-1,5-dien-1-yl)oxyethyl]piperidin-1-yl]ethyl]-2-methoxyphenol?
The canonical SMILES for 4-[2-[4-[2-(6-fluorocyclohexa-1,5-dien-1-yl)oxyethyl]piperidin-1-yl]ethyl]-2-methoxyphenol is COc1cc(CCN2CCC(CCOC3=CCCC=C3F)CC2)ccc1O.
What is the InChIKey of 4-[2-[4-[2-(6-fluorocyclohexa-1,5-dien-1-yl)oxyethyl]piperidin-1-yl]ethyl]-2-methoxyphenol?
The InChIKey is IENQYLJQLCYBRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30FNO3/c1-26-22-16-18(6-7-20(22)25)10-14-24-12-8-17(9-13-24)11-15-27-21-5-3-2-4-19(21)23/h4-7,16-17,25H,2-3,8-15H2,1H3.
What are the key properties of 4-[2-[4-[2-(6-fluorocyclohexa-1,5-dien-1-yl)oxyethyl]piperidin-1-yl]ethyl]-2-methoxyphenol?
4-[2-[4-[2-(6-fluorocyclohexa-1,5-dien-1-yl)oxyethyl]piperidin-1-yl]ethyl]-2-methoxyphenol has a molecular weight of 375.48 g/mol, XLogP of 4.59, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[4-[2-(6-fluorocyclohexa-1,5-dien-1-yl)oxyethyl]piperidin-1-yl]ethyl]-2-methoxyphenol is sourced from PubChem (CID 70830462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).