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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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).