1-[[3-[2-(3,5-dimethylpyrazol-1-yl)ethoxy]phenyl]methyl]-3-(phenoxymethyl)piperidin-3-ol

C26H33N3O3 — CID 132766921

IUPAC1-[[3-[2-(3,5-dimethylpyrazol-1-yl)ethoxy]phenyl]methyl]-3-(phenoxymethyl)piperidin-3-ol
SMILESCc1cc(C)n(CCOc2cccc(CN3CCCC(O)(COc4ccccc4)C3)c2)n1
InChIInChI=1S/C26H33N3O3/c1-21-16-22(2)29(27-21)14-15-31-25-11-6-8-23(17-25)18-28-13-7-12-26(30,19-28)20-32-24-9-4-3-5-10-24/h3-6,8-11,16-17,30H,7,12-15,18-20H2,1-2H3
InChIKeyROYOQLDPJLDGCM-UHFFFAOYSA-N
MW435.57 g/mol
LogP3.98
Rot. Bonds9

About 1-[[3-[2-(3,5-dimethylpyrazol-1-yl)ethoxy]phenyl]methyl]-3-(phenoxymethyl)piperidin-3-ol

1-[[3-[2-(3,5-dimethylpyrazol-1-yl)ethoxy]phenyl]methyl]-3-(phenoxymethyl)piperidin-3-ol (PubChem CID 132766921) has the molecular formula C26H33N3O3 and a molecular weight of 435.57 g/mol. Its IUPAC name is 1-[[3-[2-(3,5-dimethylpyrazol-1-yl)ethoxy]phenyl]methyl]-3-(phenoxymethyl)piperidin-3-ol.

Molecular Properties

Compound Name1-[[3-[2-(3,5-dimethylpyrazol-1-yl)ethoxy]phenyl]methyl]-3-(phenoxymethyl)piperidin-3-ol
PubChem CID132766921
Molecular FormulaC26H33N3O3
Molecular Weight435.57 g/mol
Exact Mass435.25
IUPAC Name1-[[3-[2-(3,5-dimethylpyrazol-1-yl)ethoxy]phenyl]methyl]-3-(phenoxymethyl)piperidin-3-ol
SMILESCc1cc(C)n(CCOc2cccc(CN3CCCC(O)(COc4ccccc4)C3)c2)n1
InChIInChI=1S/C26H33N3O3/c1-21-16-22(2)29(27-21)14-15-31-25-11-6-8-23(17-25)18-28-13-7-12-26(30,19-28)20-32-24-9-4-3-5-10-24/h3-6,8-11,16-17,30H,7,12-15,18-20H2,1-2H3
InChIKeyROYOQLDPJLDGCM-UHFFFAOYSA-N
XLogP3.98
TPSA59.75 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.57
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-[[3-[3-(3,5-dimethylpyrazol-1-yl)propoxy]phenyl]methyl]-6-[(4-methylphenoxy)methyl]-1,4-oxazepan-6-ol
CID 155992483
6-[(4-chlorophenoxy)methyl]-4-[[3-[3-(3,5-dimethylpyrazol-1-yl)propoxy]phenyl]methyl]-1,4-oxazepan-6-ol
CID 132768621
1-[[3-(2-imidazol-1-ylethoxy)phenyl]methyl]-4-[(4-methylphenoxy)methyl]azepan-4-ol
CID 132766922
(3S,4S)-1-[[3-[3-(3,5-dimethylpyrazol-1-yl)propoxy]phenyl]methyl]-3-[(4-fluorophenoxy)methyl]piperidine-3,4-diol
CID 155993489
[1-[[3-(3,5-dimethylpyrazol-1-yl)phenyl]methyl]-3-(2-phenoxyethyl)piperidin-3-yl]methanol
CID 45230798
[(3R)-1-[[3-(3,5-dimethylpyrazol-1-yl)phenyl]methyl]-3-(2-phenoxyethyl)piperidin-3-yl]methanol
CID 26326398
3-(phenoxymethyl)-1-[[4-(3-pyrazol-1-ylpropoxy)phenyl]methyl]piperidin-3-ol
CID 132772135
4-[(4-methylphenoxy)methyl]-1-[[3-[3-(4-methylpyrazol-1-yl)propoxy]phenyl]methyl]azepan-4-ol
CID 132767629
3-[(4-chloro-3,5-dimethylphenoxy)methyl]-1-[[4-[2-(3-methylpyrazol-1-yl)ethoxy]phenyl]methyl]piperidin-3-ol
CID 132768212
1-[6-hydroxy-6-[(4-methylphenoxy)methyl]-4-[[3-(2-pyrrolidin-1-ylethoxy)phenyl]methyl]-1,4-diazepan-1-yl]ethanone
CID 155993040
1-[6-hydroxy-4-[[3-[2-(4-methylpyrazol-1-yl)ethoxy]phenyl]methyl]-6-(phenoxymethyl)-1,4-diazepan-1-yl]ethanone
CID 132768055
1-[3-[4-[[3-hydroxy-3-(phenoxymethyl)piperidin-1-yl]methyl]phenoxy]propyl]-5-methylpyridin-2-one
CID 132767606

Frequently Asked Questions

What is the IUPAC name of 1-[[3-[2-(3,5-dimethylpyrazol-1-yl)ethoxy]phenyl]methyl]-3-(phenoxymethyl)piperidin-3-ol?
The IUPAC name of 1-[[3-[2-(3,5-dimethylpyrazol-1-yl)ethoxy]phenyl]methyl]-3-(phenoxymethyl)piperidin-3-ol (CID 132766921) is 1-[[3-[2-(3,5-dimethylpyrazol-1-yl)ethoxy]phenyl]methyl]-3-(phenoxymethyl)piperidin-3-ol.
What is the SMILES notation for 1-[[3-[2-(3,5-dimethylpyrazol-1-yl)ethoxy]phenyl]methyl]-3-(phenoxymethyl)piperidin-3-ol?
The canonical SMILES for 1-[[3-[2-(3,5-dimethylpyrazol-1-yl)ethoxy]phenyl]methyl]-3-(phenoxymethyl)piperidin-3-ol is Cc1cc(C)n(CCOc2cccc(CN3CCCC(O)(COc4ccccc4)C3)c2)n1.
What is the InChIKey of 1-[[3-[2-(3,5-dimethylpyrazol-1-yl)ethoxy]phenyl]methyl]-3-(phenoxymethyl)piperidin-3-ol?
The InChIKey is ROYOQLDPJLDGCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H33N3O3/c1-21-16-22(2)29(27-21)14-15-31-25-11-6-8-23(17-25)18-28-13-7-12-26(30,19-28)20-32-24-9-4-3-5-10-24/h3-6,8-11,16-17,30H,7,12-15,18-20H2,1-2H3.
What are the key properties of 1-[[3-[2-(3,5-dimethylpyrazol-1-yl)ethoxy]phenyl]methyl]-3-(phenoxymethyl)piperidin-3-ol?
1-[[3-[2-(3,5-dimethylpyrazol-1-yl)ethoxy]phenyl]methyl]-3-(phenoxymethyl)piperidin-3-ol has a molecular weight of 435.57 g/mol, XLogP of 3.98, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[3-[2-(3,5-dimethylpyrazol-1-yl)ethoxy]phenyl]methyl]-3-(phenoxymethyl)piperidin-3-ol is sourced from PubChem (CID 132766921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).