1-[[4-ethoxy-3-(imidazol-1-ylmethyl)phenyl]methyl]-4-(2-methoxyphenyl)piperidin-4-ol

C25H31N3O3 — CID 46965802

IUPAC1-[[4-ethoxy-3-(imidazol-1-ylmethyl)phenyl]methyl]-4-(2-methoxyphenyl)piperidin-4-ol
SMILESCCOc1ccc(CN2CCC(O)(c3ccccc3OC)CC2)cc1Cn1ccnc1
InChIInChI=1S/C25H31N3O3/c1-3-31-23-9-8-20(16-21(23)18-28-15-12-26-19-28)17-27-13-10-25(29,11-14-27)22-6-4-5-7-24(22)30-2/h4-9,12,15-16,19,29H,3,10-11,13-14,17-18H2,1-2H3
InChIKeyHYRFBQGUAKVINA-UHFFFAOYSA-N
MW421.54 g/mol
LogP3.82
Rot. Bonds8

About 1-[[4-ethoxy-3-(imidazol-1-ylmethyl)phenyl]methyl]-4-(2-methoxyphenyl)piperidin-4-ol

1-[[4-ethoxy-3-(imidazol-1-ylmethyl)phenyl]methyl]-4-(2-methoxyphenyl)piperidin-4-ol (PubChem CID 46965802) has the molecular formula C25H31N3O3 and a molecular weight of 421.54 g/mol. Its IUPAC name is 1-[[4-ethoxy-3-(imidazol-1-ylmethyl)phenyl]methyl]-4-(2-methoxyphenyl)piperidin-4-ol.

Molecular Properties

Compound Name1-[[4-ethoxy-3-(imidazol-1-ylmethyl)phenyl]methyl]-4-(2-methoxyphenyl)piperidin-4-ol
PubChem CID46965802
Molecular FormulaC25H31N3O3
Molecular Weight421.54 g/mol
Exact Mass421.24
IUPAC Name1-[[4-ethoxy-3-(imidazol-1-ylmethyl)phenyl]methyl]-4-(2-methoxyphenyl)piperidin-4-ol
SMILESCCOc1ccc(CN2CCC(O)(c3ccccc3OC)CC2)cc1Cn1ccnc1
InChIInChI=1S/C25H31N3O3/c1-3-31-23-9-8-20(16-21(23)18-28-15-12-26-19-28)17-27-13-10-25(29,11-14-27)22-6-4-5-7-24(22)30-2/h4-9,12,15-16,19,29H,3,10-11,13-14,17-18H2,1-2H3
InChIKeyHYRFBQGUAKVINA-UHFFFAOYSA-N
XLogP3.82
TPSA59.75 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.54
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[[4-ethoxy-3-(imidazol-1-ylmethyl)phenyl]methyl]-1-(2-fluorophenyl)cyclopentan-1-amine
CID 46955052
1-[(3,4-dimethoxy-5-prop-2-enylphenyl)methyl]-4-(2-methoxyphenyl)piperidin-4-ol
CID 46966235
8-[[3-(imidazol-1-ylmethyl)-4-methoxyphenyl]methyl]-4-(methoxymethyl)-2-methyl-2,8-diazaspiro[4.5]decane
CID 91922090
1-[(4-butan-2-yloxy-3-methoxyphenyl)methyl]-4-(imidazol-1-ylmethyl)piperidin-4-ol
CID 46992021
4-[(2-fluorophenoxy)methyl]-1-[[4-(2-imidazol-1-ylethoxy)-3-methoxyphenyl]methyl]azepan-4-ol
CID 132779942
3-[4-ethoxy-3-(imidazol-1-ylmethyl)phenyl]-N,N-dimethylpropan-1-amine
CID 170866372
1-(3-ethoxy-4-methoxyphenyl)-3-[[2-(imidazol-1-ylmethyl)phenyl]methyl]urea
CID 55793735
1-[[4-methoxy-3-(pyrazol-1-ylmethyl)phenyl]methyl]-4-(3-methylphenyl)piperidin-4-ol
CID 46965834
4-(2-methoxyphenyl)-1-[(2-prop-2-ynoxyphenyl)methyl]piperidin-4-ol
CID 46966233
(3S)-1-benzyl-3-(2-methoxyphenyl)pyrrolidin-3-ol
CID 129372424
1-[[3-[(3,5-dimethylpyrazolidin-4-yl)methyl]-4-methoxyphenyl]methyl]-4-(2-fluorophenyl)piperidin-4-ol
CID 73305740
1-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-4-(2-methoxyphenyl)piperidin-4-ol
CID 46966161

Frequently Asked Questions

What is the IUPAC name of 1-[[4-ethoxy-3-(imidazol-1-ylmethyl)phenyl]methyl]-4-(2-methoxyphenyl)piperidin-4-ol?
The IUPAC name of 1-[[4-ethoxy-3-(imidazol-1-ylmethyl)phenyl]methyl]-4-(2-methoxyphenyl)piperidin-4-ol (CID 46965802) is 1-[[4-ethoxy-3-(imidazol-1-ylmethyl)phenyl]methyl]-4-(2-methoxyphenyl)piperidin-4-ol.
What is the SMILES notation for 1-[[4-ethoxy-3-(imidazol-1-ylmethyl)phenyl]methyl]-4-(2-methoxyphenyl)piperidin-4-ol?
The canonical SMILES for 1-[[4-ethoxy-3-(imidazol-1-ylmethyl)phenyl]methyl]-4-(2-methoxyphenyl)piperidin-4-ol is CCOc1ccc(CN2CCC(O)(c3ccccc3OC)CC2)cc1Cn1ccnc1.
What is the InChIKey of 1-[[4-ethoxy-3-(imidazol-1-ylmethyl)phenyl]methyl]-4-(2-methoxyphenyl)piperidin-4-ol?
The InChIKey is HYRFBQGUAKVINA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H31N3O3/c1-3-31-23-9-8-20(16-21(23)18-28-15-12-26-19-28)17-27-13-10-25(29,11-14-27)22-6-4-5-7-24(22)30-2/h4-9,12,15-16,19,29H,3,10-11,13-14,17-18H2,1-2H3.
What are the key properties of 1-[[4-ethoxy-3-(imidazol-1-ylmethyl)phenyl]methyl]-4-(2-methoxyphenyl)piperidin-4-ol?
1-[[4-ethoxy-3-(imidazol-1-ylmethyl)phenyl]methyl]-4-(2-methoxyphenyl)piperidin-4-ol has a molecular weight of 421.54 g/mol, XLogP of 3.82, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[4-ethoxy-3-(imidazol-1-ylmethyl)phenyl]methyl]-4-(2-methoxyphenyl)piperidin-4-ol is sourced from PubChem (CID 46965802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).