1-(4-methoxyphenoxy)-3-[methyl-[[3-(2-piperidin-1-ylethoxy)phenyl]methyl]amino]propan-2-ol

C25H36N2O4 — CID 132778876

IUPAC1-(4-methoxyphenoxy)-3-[methyl-[[3-(2-piperidin-1-ylethoxy)phenyl]methyl]amino]propan-2-ol
SMILESCOc1ccc(OCC(O)CN(C)Cc2cccc(OCCN3CCCCC3)c2)cc1
InChIInChI=1S/C25H36N2O4/c1-26(19-22(28)20-31-24-11-9-23(29-2)10-12-24)18-21-7-6-8-25(17-21)30-16-15-27-13-4-3-5-14-27/h6-12,17,22,28H,3-5,13-16,18-20H2,1-2H3
InChIKeyQCJVKACGZZRNJS-UHFFFAOYSA-N
MW428.57 g/mol
LogP3.43
Rot. Bonds12

About 1-(4-methoxyphenoxy)-3-[methyl-[[3-(2-piperidin-1-ylethoxy)phenyl]methyl]amino]propan-2-ol

1-(4-methoxyphenoxy)-3-[methyl-[[3-(2-piperidin-1-ylethoxy)phenyl]methyl]amino]propan-2-ol (PubChem CID 132778876) has the molecular formula C25H36N2O4 and a molecular weight of 428.57 g/mol. Its IUPAC name is 1-(4-methoxyphenoxy)-3-[methyl-[[3-(2-piperidin-1-ylethoxy)phenyl]methyl]amino]propan-2-ol.

Molecular Properties

Compound Name1-(4-methoxyphenoxy)-3-[methyl-[[3-(2-piperidin-1-ylethoxy)phenyl]methyl]amino]propan-2-ol
PubChem CID132778876
Molecular FormulaC25H36N2O4
Molecular Weight428.57 g/mol
Exact Mass428.27
IUPAC Name1-(4-methoxyphenoxy)-3-[methyl-[[3-(2-piperidin-1-ylethoxy)phenyl]methyl]amino]propan-2-ol
SMILESCOc1ccc(OCC(O)CN(C)Cc2cccc(OCCN3CCCCC3)c2)cc1
InChIInChI=1S/C25H36N2O4/c1-26(19-22(28)20-31-24-11-9-23(29-2)10-12-24)18-21-7-6-8-25(17-21)30-16-15-27-13-4-3-5-14-27/h6-12,17,22,28H,3-5,13-16,18-20H2,1-2H3
InChIKeyQCJVKACGZZRNJS-UHFFFAOYSA-N
XLogP3.43
TPSA54.40 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.57
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-(4-methoxyphenoxy)-3-[methyl-[[3-(2-piperidin-1-ylethoxy)phenyl]methyl]amino]propan-2-ol with MolForge

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Related Compounds

1-[benzyl(methyl)amino]-3-(4-methoxyphenoxy)propan-2-ol
CID 110877486
1-(azepan-1-yl)-3-[3-[[(3,4-dimethoxyphenyl)methyl-methylamino]methyl]phenoxy]propan-2-ol
CID 45204138
1-(azepan-1-yl)-3-[3-[[methyl(2-morpholin-4-ylethyl)amino]methyl]phenoxy]propan-2-ol
CID 45207449
1-[2-(4-methoxyphenoxy)ethyl]azepane
CID 888209
ethyl 4-[(2S)-2-hydroxy-3-[(3-methoxyphenyl)methyl-methylamino]propoxy]benzoate
CID 41119766
1-[[3-methoxy-4-(2-pyrrolidin-1-ylethoxy)phenyl]methyl-methylamino]-3-(2,4,6-tribromophenoxy)propan-2-ol
CID 167244426
2-[[3-[(2R)-3-(azepan-1-yl)-2-hydroxypropoxy]phenyl]methyl-methylamino]-N-methylacetamide
CID 97273675
(2S)-1-[(3-methoxyphenyl)methyl-methylamino]-3-propan-2-yloxypropan-2-ol
CID 95357888
1-[[4-[3-(dimethylamino)propoxy]-3-methoxyphenyl]methyl-methylamino]-3-(4-methoxyphenoxy)propan-2-ol
CID 132778982
1-cyclohexyloxy-3-[methyl-[[4-(2-morpholin-4-ylethoxy)phenyl]methyl]amino]propan-2-ol
CID 155984691
3-[(3-methoxyphenyl)methyl-methylamino]propane-1,2-diol
CID 78907088
1-[(3-methoxyphenyl)methyl]-5-(2-piperidin-1-ylethoxy)indole
CID 175357552

Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxyphenoxy)-3-[methyl-[[3-(2-piperidin-1-ylethoxy)phenyl]methyl]amino]propan-2-ol?
The IUPAC name of 1-(4-methoxyphenoxy)-3-[methyl-[[3-(2-piperidin-1-ylethoxy)phenyl]methyl]amino]propan-2-ol (CID 132778876) is 1-(4-methoxyphenoxy)-3-[methyl-[[3-(2-piperidin-1-ylethoxy)phenyl]methyl]amino]propan-2-ol.
What is the SMILES notation for 1-(4-methoxyphenoxy)-3-[methyl-[[3-(2-piperidin-1-ylethoxy)phenyl]methyl]amino]propan-2-ol?
The canonical SMILES for 1-(4-methoxyphenoxy)-3-[methyl-[[3-(2-piperidin-1-ylethoxy)phenyl]methyl]amino]propan-2-ol is COc1ccc(OCC(O)CN(C)Cc2cccc(OCCN3CCCCC3)c2)cc1.
What is the InChIKey of 1-(4-methoxyphenoxy)-3-[methyl-[[3-(2-piperidin-1-ylethoxy)phenyl]methyl]amino]propan-2-ol?
The InChIKey is QCJVKACGZZRNJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H36N2O4/c1-26(19-22(28)20-31-24-11-9-23(29-2)10-12-24)18-21-7-6-8-25(17-21)30-16-15-27-13-4-3-5-14-27/h6-12,17,22,28H,3-5,13-16,18-20H2,1-2H3.
What are the key properties of 1-(4-methoxyphenoxy)-3-[methyl-[[3-(2-piperidin-1-ylethoxy)phenyl]methyl]amino]propan-2-ol?
1-(4-methoxyphenoxy)-3-[methyl-[[3-(2-piperidin-1-ylethoxy)phenyl]methyl]amino]propan-2-ol has a molecular weight of 428.57 g/mol, XLogP of 3.43, 12 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxyphenoxy)-3-[methyl-[[3-(2-piperidin-1-ylethoxy)phenyl]methyl]amino]propan-2-ol is sourced from PubChem (CID 132778876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).