1-[[5-(2-methoxy-3-pyridinyl)-2-(1,3-thiazol-2-ylmethoxy)phenyl]methyl]piperidin-3-ol

C22H25N3O3S — CID 171913486

IUPAC1-[[5-(2-methoxy-3-pyridinyl)-2-(1,3-thiazol-2-ylmethoxy)phenyl]methyl]piperidin-3-ol
SMILESCOc1ncccc1-c1ccc(OCc2nccs2)c(CN2CCCC(O)C2)c1
InChIInChI=1S/C22H25N3O3S/c1-27-22-19(5-2-8-24-22)16-6-7-20(28-15-21-23-9-11-29-21)17(12-16)13-25-10-3-4-18(26)14-25/h2,5-9,11-12,18,26H,3-4,10,13-15H2,1H3
InChIKeyWYOCIFWRJJAXDL-UHFFFAOYSA-N
MW411.53 g/mol
LogP3.75
Rot. Bonds7

About 1-[[5-(2-methoxy-3-pyridinyl)-2-(1,3-thiazol-2-ylmethoxy)phenyl]methyl]piperidin-3-ol

1-[[5-(2-methoxy-3-pyridinyl)-2-(1,3-thiazol-2-ylmethoxy)phenyl]methyl]piperidin-3-ol (PubChem CID 171913486) has the molecular formula C22H25N3O3S and a molecular weight of 411.53 g/mol. Its IUPAC name is 1-[[5-(2-methoxy-3-pyridinyl)-2-(1,3-thiazol-2-ylmethoxy)phenyl]methyl]piperidin-3-ol.

Molecular Properties

Compound Name1-[[5-(2-methoxy-3-pyridinyl)-2-(1,3-thiazol-2-ylmethoxy)phenyl]methyl]piperidin-3-ol
PubChem CID171913486
Molecular FormulaC22H25N3O3S
Molecular Weight411.53 g/mol
Exact Mass411.16
IUPAC Name1-[[5-(2-methoxy-3-pyridinyl)-2-(1,3-thiazol-2-ylmethoxy)phenyl]methyl]piperidin-3-ol
SMILESCOc1ncccc1-c1ccc(OCc2nccs2)c(CN2CCCC(O)C2)c1
InChIInChI=1S/C22H25N3O3S/c1-27-22-19(5-2-8-24-22)16-6-7-20(28-15-21-23-9-11-29-21)17(12-16)13-25-10-3-4-18(26)14-25/h2,5-9,11-12,18,26H,3-4,10,13-15H2,1H3
InChIKeyWYOCIFWRJJAXDL-UHFFFAOYSA-N
XLogP3.75
TPSA67.71 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.53
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 1-[[5-(2-methoxy-3-pyridinyl)-2-(1,3-thiazol-2-ylmethoxy)phenyl]methyl]piperidin-3-ol with MolForge

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Related Compounds

(3R)-1-[[5-chloro-2-(pyridin-3-ylmethoxy)phenyl]methyl]piperidin-3-ol
CID 94528472
1-[(2-methoxy-3-pyridinyl)methyl]-3-methylpiperidin-4-ol
CID 114502539
2-[2-(3,5-dihydro-2H-1,4-benzoxazepin-4-ylmethyl)-4-(2-methoxy-3-pyridinyl)phenoxy]acetamide
CID 171907810
1-[(3-fluoro-4-methoxyphenyl)methyl]piperidin-3-ol
CID 24904753
(3S)-1-[(2,4-dimethoxyphenyl)methyl]piperidin-3-ol
CID 754063
1-[[2-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethoxy]-5-(2-methoxy-3-pyridinyl)phenyl]methyl]azetidine-3-carbonitrile
CID 171914429
2-[2-(pyrrolidin-1-ylmethyl)-4-thiophen-2-ylphenoxy]-N-(1,3-thiazol-2-ylmethyl)acetamide
CID 42369762
1-[[3-(3-fluoro-4-methoxyphenyl)-1-(2-methylphenyl)pyrazol-4-yl]methyl]piperidin-3-ol
CID 45222602
3-[(3-hydroxypiperidin-1-yl)methyl]pyridine-2-carboximidamide
CID 62893702
1-[(3,4,5-trimethoxyphenyl)methyl]piperidin-3-ol
CID 2838185
1-[(5-fluoro-2-methoxyphenyl)methyl]pyrrolidin-3-ol
CID 62917327
N-[1-[(2,5-dimethoxyphenyl)methyl]piperidin-3-yl]pyrimidin-2-amine
CID 172891896

Frequently Asked Questions

What is the IUPAC name of 1-[[5-(2-methoxy-3-pyridinyl)-2-(1,3-thiazol-2-ylmethoxy)phenyl]methyl]piperidin-3-ol?
The IUPAC name of 1-[[5-(2-methoxy-3-pyridinyl)-2-(1,3-thiazol-2-ylmethoxy)phenyl]methyl]piperidin-3-ol (CID 171913486) is 1-[[5-(2-methoxy-3-pyridinyl)-2-(1,3-thiazol-2-ylmethoxy)phenyl]methyl]piperidin-3-ol.
What is the SMILES notation for 1-[[5-(2-methoxy-3-pyridinyl)-2-(1,3-thiazol-2-ylmethoxy)phenyl]methyl]piperidin-3-ol?
The canonical SMILES for 1-[[5-(2-methoxy-3-pyridinyl)-2-(1,3-thiazol-2-ylmethoxy)phenyl]methyl]piperidin-3-ol is COc1ncccc1-c1ccc(OCc2nccs2)c(CN2CCCC(O)C2)c1.
What is the InChIKey of 1-[[5-(2-methoxy-3-pyridinyl)-2-(1,3-thiazol-2-ylmethoxy)phenyl]methyl]piperidin-3-ol?
The InChIKey is WYOCIFWRJJAXDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O3S/c1-27-22-19(5-2-8-24-22)16-6-7-20(28-15-21-23-9-11-29-21)17(12-16)13-25-10-3-4-18(26)14-25/h2,5-9,11-12,18,26H,3-4,10,13-15H2,1H3.
What are the key properties of 1-[[5-(2-methoxy-3-pyridinyl)-2-(1,3-thiazol-2-ylmethoxy)phenyl]methyl]piperidin-3-ol?
1-[[5-(2-methoxy-3-pyridinyl)-2-(1,3-thiazol-2-ylmethoxy)phenyl]methyl]piperidin-3-ol has a molecular weight of 411.53 g/mol, XLogP of 3.75, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[5-(2-methoxy-3-pyridinyl)-2-(1,3-thiazol-2-ylmethoxy)phenyl]methyl]piperidin-3-ol is sourced from PubChem (CID 171913486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).