2-methyl-1-[4-(4-piperidin-4-ylthieno[3,2-c]pyridin-6-yl)phenoxy]propan-2-ol

C22H26N2O2S — CID 69179747

IUPAC2-methyl-1-[4-(4-piperidin-4-ylthieno[3,2-c]pyridin-6-yl)phenoxy]propan-2-ol
SMILESCC(C)(O)COc1ccc(-c2cc3sccc3c(C3CCNCC3)n2)cc1
InChIInChI=1S/C22H26N2O2S/c1-22(2,25)14-26-17-5-3-15(4-6-17)19-13-20-18(9-12-27-20)21(24-19)16-7-10-23-11-8-16/h3-6,9,12-13,16,23,25H,7-8,10-11,14H2,1-2H3
InChIKeyWZVPLIQYRAVMLF-UHFFFAOYSA-N
MW382.53 g/mol
LogP4.58
Rot. Bonds5

About 2-methyl-1-[4-(4-piperidin-4-ylthieno[3,2-c]pyridin-6-yl)phenoxy]propan-2-ol

2-methyl-1-[4-(4-piperidin-4-ylthieno[3,2-c]pyridin-6-yl)phenoxy]propan-2-ol (PubChem CID 69179747) has the molecular formula C22H26N2O2S and a molecular weight of 382.53 g/mol. Its IUPAC name is 2-methyl-1-[4-(4-piperidin-4-ylthieno[3,2-c]pyridin-6-yl)phenoxy]propan-2-ol.

Molecular Properties

Compound Name2-methyl-1-[4-(4-piperidin-4-ylthieno[3,2-c]pyridin-6-yl)phenoxy]propan-2-ol
PubChem CID69179747
Molecular FormulaC22H26N2O2S
Molecular Weight382.53 g/mol
Exact Mass382.17
IUPAC Name2-methyl-1-[4-(4-piperidin-4-ylthieno[3,2-c]pyridin-6-yl)phenoxy]propan-2-ol
SMILESCC(C)(O)COc1ccc(-c2cc3sccc3c(C3CCNCC3)n2)cc1
InChIInChI=1S/C22H26N2O2S/c1-22(2,25)14-26-17-5-3-15(4-6-17)19-13-20-18(9-12-27-20)21(24-19)16-7-10-23-11-8-16/h3-6,9,12-13,16,23,25H,7-8,10-11,14H2,1-2H3
InChIKeyWZVPLIQYRAVMLF-UHFFFAOYSA-N
XLogP4.58
TPSA54.38 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.53
LogP ≤ 54.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-[4-(4-piperidin-4-ylthieno[3,2-c]pyridin-6-yl)phenoxy]propan-2-ol?
The IUPAC name of 2-methyl-1-[4-(4-piperidin-4-ylthieno[3,2-c]pyridin-6-yl)phenoxy]propan-2-ol (CID 69179747) is 2-methyl-1-[4-(4-piperidin-4-ylthieno[3,2-c]pyridin-6-yl)phenoxy]propan-2-ol.
What is the SMILES notation for 2-methyl-1-[4-(4-piperidin-4-ylthieno[3,2-c]pyridin-6-yl)phenoxy]propan-2-ol?
The canonical SMILES for 2-methyl-1-[4-(4-piperidin-4-ylthieno[3,2-c]pyridin-6-yl)phenoxy]propan-2-ol is CC(C)(O)COc1ccc(-c2cc3sccc3c(C3CCNCC3)n2)cc1.
What is the InChIKey of 2-methyl-1-[4-(4-piperidin-4-ylthieno[3,2-c]pyridin-6-yl)phenoxy]propan-2-ol?
The InChIKey is WZVPLIQYRAVMLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N2O2S/c1-22(2,25)14-26-17-5-3-15(4-6-17)19-13-20-18(9-12-27-20)21(24-19)16-7-10-23-11-8-16/h3-6,9,12-13,16,23,25H,7-8,10-11,14H2,1-2H3.
What are the key properties of 2-methyl-1-[4-(4-piperidin-4-ylthieno[3,2-c]pyridin-6-yl)phenoxy]propan-2-ol?
2-methyl-1-[4-(4-piperidin-4-ylthieno[3,2-c]pyridin-6-yl)phenoxy]propan-2-ol has a molecular weight of 382.53 g/mol, XLogP of 4.58, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-[4-(4-piperidin-4-ylthieno[3,2-c]pyridin-6-yl)phenoxy]propan-2-ol is sourced from PubChem (CID 69179747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).