1-[[3-[3-(2-ethylimidazol-1-yl)propoxy]phenyl]methyl]-4-[(4-fluorophenoxy)methyl]piperidin-4-ol

C27H34FN3O3 — CID 129454035

IUPAC1-[[3-[3-(2-ethylimidazol-1-yl)propoxy]phenyl]methyl]-4-[(4-fluorophenoxy)methyl]piperidin-4-ol
SMILESCCc1nccn1CCCOc1cccc(CN2CCC(O)(COc3ccc(F)cc3)CC2)c1
InChIInChI=1S/C27H34FN3O3/c1-2-26-29-13-17-31(26)14-4-18-33-25-6-3-5-22(19-25)20-30-15-11-27(32,12-16-30)21-34-24-9-7-23(28)8-10-24/h3,5-10,13,17,19,32H,2,4,11-12,14-16,18,20-21H2,1H3
InChIKeyCOGYVJHIPLUJNL-UHFFFAOYSA-N
MW467.59 g/mol
LogP4.46
Rot. Bonds11

About 1-[[3-[3-(2-ethylimidazol-1-yl)propoxy]phenyl]methyl]-4-[(4-fluorophenoxy)methyl]piperidin-4-ol

1-[[3-[3-(2-ethylimidazol-1-yl)propoxy]phenyl]methyl]-4-[(4-fluorophenoxy)methyl]piperidin-4-ol (PubChem CID 129454035) has the molecular formula C27H34FN3O3 and a molecular weight of 467.59 g/mol. Its IUPAC name is 1-[[3-[3-(2-ethylimidazol-1-yl)propoxy]phenyl]methyl]-4-[(4-fluorophenoxy)methyl]piperidin-4-ol.

Molecular Properties

Compound Name1-[[3-[3-(2-ethylimidazol-1-yl)propoxy]phenyl]methyl]-4-[(4-fluorophenoxy)methyl]piperidin-4-ol
PubChem CID129454035
Molecular FormulaC27H34FN3O3
Molecular Weight467.59 g/mol
Exact Mass467.26
IUPAC Name1-[[3-[3-(2-ethylimidazol-1-yl)propoxy]phenyl]methyl]-4-[(4-fluorophenoxy)methyl]piperidin-4-ol
SMILESCCc1nccn1CCCOc1cccc(CN2CCC(O)(COc3ccc(F)cc3)CC2)c1
InChIInChI=1S/C27H34FN3O3/c1-2-26-29-13-17-31(26)14-4-18-33-25-6-3-5-22(19-25)20-30-15-11-27(32,12-16-30)21-34-24-9-7-23(28)8-10-24/h3,5-10,13,17,19,32H,2,4,11-12,14-16,18,20-21H2,1H3
InChIKeyCOGYVJHIPLUJNL-UHFFFAOYSA-N
XLogP4.46
TPSA59.75 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.59
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

(3S,4S)-3-[(4-chlorophenoxy)methyl]-1-[[3-[3-(2-ethylimidazol-1-yl)propoxy]phenyl]methyl]piperidine-3,4-diol
CID 155993505
4-[[4-[2-(2-ethylimidazol-1-yl)ethoxy]-3-methoxyphenyl]methyl]-6-[(4-fluorophenoxy)methyl]-1,4-oxazepan-6-ol
CID 132768569
1-[6-[(4-fluorophenoxy)methyl]-6-hydroxy-4-[[3-(3-imidazol-1-ylpropoxy)phenyl]methyl]-1,4-diazepan-1-yl]ethanone
CID 132773849
4-[(4-methylphenoxy)methyl]-1-[[3-[3-(4-methylpyrazol-1-yl)propoxy]phenyl]methyl]azepan-4-ol
CID 132767629
1-[[3-(2-imidazol-1-ylethoxy)phenyl]methyl]-4-[(4-methylphenoxy)methyl]azepan-4-ol
CID 132766922
1-[[4-[3-(2-methylimidazol-1-yl)propoxy]phenyl]methyl]-4-[(4-methylphenoxy)methyl]azepan-4-ol
CID 132767617
1-[4-[[4-[2-(2-ethylimidazol-1-yl)ethoxy]-3-methoxyphenyl]methyl]-6-[(4-fluorophenoxy)methyl]-6-hydroxy-1,4-diazepan-1-yl]-2-methoxyethanone
CID 132769526
4-[(2-fluorophenoxy)methyl]-1-[[3-(2-imidazol-1-ylethoxy)phenyl]methyl]azepan-4-ol
CID 132772516
4-[[4-[3-(2-ethylimidazol-1-yl)propoxy]-3-methoxyphenyl]methyl]-6-[(3-methylphenoxy)methyl]-1,4-oxazepan-6-ol
CID 132768790
4-(4-fluorophenyl)-1-[[3-(2-methoxyethoxy)phenyl]methyl]piperidin-4-ol
CID 16677696
1-[3-[3-[[4-hydroxy-4-[(4-methylphenoxy)methyl]azepan-1-yl]methyl]phenoxy]propyl]pyrrolidin-2-one
CID 132767717
(3S,4S)-1-[[4-[2-(2-ethylimidazol-1-yl)ethoxy]phenyl]methyl]-4-(3-fluorophenoxy)pyrrolidin-3-ol
CID 175659098

Frequently Asked Questions

What is the IUPAC name of 1-[[3-[3-(2-ethylimidazol-1-yl)propoxy]phenyl]methyl]-4-[(4-fluorophenoxy)methyl]piperidin-4-ol?
The IUPAC name of 1-[[3-[3-(2-ethylimidazol-1-yl)propoxy]phenyl]methyl]-4-[(4-fluorophenoxy)methyl]piperidin-4-ol (CID 129454035) is 1-[[3-[3-(2-ethylimidazol-1-yl)propoxy]phenyl]methyl]-4-[(4-fluorophenoxy)methyl]piperidin-4-ol.
What is the SMILES notation for 1-[[3-[3-(2-ethylimidazol-1-yl)propoxy]phenyl]methyl]-4-[(4-fluorophenoxy)methyl]piperidin-4-ol?
The canonical SMILES for 1-[[3-[3-(2-ethylimidazol-1-yl)propoxy]phenyl]methyl]-4-[(4-fluorophenoxy)methyl]piperidin-4-ol is CCc1nccn1CCCOc1cccc(CN2CCC(O)(COc3ccc(F)cc3)CC2)c1.
What is the InChIKey of 1-[[3-[3-(2-ethylimidazol-1-yl)propoxy]phenyl]methyl]-4-[(4-fluorophenoxy)methyl]piperidin-4-ol?
The InChIKey is COGYVJHIPLUJNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H34FN3O3/c1-2-26-29-13-17-31(26)14-4-18-33-25-6-3-5-22(19-25)20-30-15-11-27(32,12-16-30)21-34-24-9-7-23(28)8-10-24/h3,5-10,13,17,19,32H,2,4,11-12,14-16,18,20-21H2,1H3.
What are the key properties of 1-[[3-[3-(2-ethylimidazol-1-yl)propoxy]phenyl]methyl]-4-[(4-fluorophenoxy)methyl]piperidin-4-ol?
1-[[3-[3-(2-ethylimidazol-1-yl)propoxy]phenyl]methyl]-4-[(4-fluorophenoxy)methyl]piperidin-4-ol has a molecular weight of 467.59 g/mol, XLogP of 4.46, 11 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[3-[3-(2-ethylimidazol-1-yl)propoxy]phenyl]methyl]-4-[(4-fluorophenoxy)methyl]piperidin-4-ol is sourced from PubChem (CID 129454035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).