2-methoxy-3-[[4-[2-(3-phenylthiophen-2-yl)ethyl]piperidin-1-yl]methyl]pyridine

C24H28N2OS — CID 22678442

IUPAC2-methoxy-3-[[4-[2-(3-phenylthiophen-2-yl)ethyl]piperidin-1-yl]methyl]pyridine
SMILESCOc1ncccc1CN1CCC(CCc2sccc2-c2ccccc2)CC1
InChIInChI=1S/C24H28N2OS/c1-27-24-21(8-5-14-25-24)18-26-15-11-19(12-16-26)9-10-23-22(13-17-28-23)20-6-3-2-4-7-20/h2-8,13-14,17,19H,9-12,15-16,18H2,1H3
InChIKeyZEODSHCWEGLSKX-UHFFFAOYSA-N
MW392.57 g/mol
LogP5.66
Rot. Bonds7

About 2-methoxy-3-[[4-[2-(3-phenylthiophen-2-yl)ethyl]piperidin-1-yl]methyl]pyridine

2-methoxy-3-[[4-[2-(3-phenylthiophen-2-yl)ethyl]piperidin-1-yl]methyl]pyridine (PubChem CID 22678442) has the molecular formula C24H28N2OS and a molecular weight of 392.57 g/mol. Its IUPAC name is 2-methoxy-3-[[4-[2-(3-phenylthiophen-2-yl)ethyl]piperidin-1-yl]methyl]pyridine.

Molecular Properties

Compound Name2-methoxy-3-[[4-[2-(3-phenylthiophen-2-yl)ethyl]piperidin-1-yl]methyl]pyridine
PubChem CID22678442
Molecular FormulaC24H28N2OS
Molecular Weight392.57 g/mol
Exact Mass392.19
IUPAC Name2-methoxy-3-[[4-[2-(3-phenylthiophen-2-yl)ethyl]piperidin-1-yl]methyl]pyridine
SMILESCOc1ncccc1CN1CCC(CCc2sccc2-c2ccccc2)CC1
InChIInChI=1S/C24H28N2OS/c1-27-24-21(8-5-14-25-24)18-26-15-11-19(12-16-26)9-10-23-22(13-17-28-23)20-6-3-2-4-7-20/h2-8,13-14,17,19H,9-12,15-16,18H2,1H3
InChIKeyZEODSHCWEGLSKX-UHFFFAOYSA-N
XLogP5.66
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500392.57
LogP ≤ 55.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-3-[[4-[2-(3-phenylthiophen-2-yl)ethyl]piperidin-1-yl]methyl]pyridine?
The IUPAC name of 2-methoxy-3-[[4-[2-(3-phenylthiophen-2-yl)ethyl]piperidin-1-yl]methyl]pyridine (CID 22678442) is 2-methoxy-3-[[4-[2-(3-phenylthiophen-2-yl)ethyl]piperidin-1-yl]methyl]pyridine.
What is the SMILES notation for 2-methoxy-3-[[4-[2-(3-phenylthiophen-2-yl)ethyl]piperidin-1-yl]methyl]pyridine?
The canonical SMILES for 2-methoxy-3-[[4-[2-(3-phenylthiophen-2-yl)ethyl]piperidin-1-yl]methyl]pyridine is COc1ncccc1CN1CCC(CCc2sccc2-c2ccccc2)CC1.
What is the InChIKey of 2-methoxy-3-[[4-[2-(3-phenylthiophen-2-yl)ethyl]piperidin-1-yl]methyl]pyridine?
The InChIKey is ZEODSHCWEGLSKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N2OS/c1-27-24-21(8-5-14-25-24)18-26-15-11-19(12-16-26)9-10-23-22(13-17-28-23)20-6-3-2-4-7-20/h2-8,13-14,17,19H,9-12,15-16,18H2,1H3.
What are the key properties of 2-methoxy-3-[[4-[2-(3-phenylthiophen-2-yl)ethyl]piperidin-1-yl]methyl]pyridine?
2-methoxy-3-[[4-[2-(3-phenylthiophen-2-yl)ethyl]piperidin-1-yl]methyl]pyridine has a molecular weight of 392.57 g/mol, XLogP of 5.66, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-3-[[4-[2-(3-phenylthiophen-2-yl)ethyl]piperidin-1-yl]methyl]pyridine is sourced from PubChem (CID 22678442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).