2-methoxy-3-[[4-(3-thiophen-2-ylpropyl)piperidin-1-yl]methyl]pyridine

C19H26N2OS — CID 22678522

IUPAC2-methoxy-3-[[4-(3-thiophen-2-ylpropyl)piperidin-1-yl]methyl]pyridine
SMILESCOc1ncccc1CN1CCC(CCCc2cccs2)CC1
InChIInChI=1S/C19H26N2OS/c1-22-19-17(6-3-11-20-19)15-21-12-9-16(10-13-21)5-2-7-18-8-4-14-23-18/h3-4,6,8,11,14,16H,2,5,7,9-10,12-13,15H2,1H3
InChIKeyWVWJTYOOBCZAPE-UHFFFAOYSA-N
MW330.50 g/mol
LogP4.39
Rot. Bonds7

About 2-methoxy-3-[[4-(3-thiophen-2-ylpropyl)piperidin-1-yl]methyl]pyridine

2-methoxy-3-[[4-(3-thiophen-2-ylpropyl)piperidin-1-yl]methyl]pyridine (PubChem CID 22678522) has the molecular formula C19H26N2OS and a molecular weight of 330.50 g/mol. Its IUPAC name is 2-methoxy-3-[[4-(3-thiophen-2-ylpropyl)piperidin-1-yl]methyl]pyridine.

Molecular Properties

Compound Name2-methoxy-3-[[4-(3-thiophen-2-ylpropyl)piperidin-1-yl]methyl]pyridine
PubChem CID22678522
Molecular FormulaC19H26N2OS
Molecular Weight330.50 g/mol
Exact Mass330.18
IUPAC Name2-methoxy-3-[[4-(3-thiophen-2-ylpropyl)piperidin-1-yl]methyl]pyridine
SMILESCOc1ncccc1CN1CCC(CCCc2cccs2)CC1
InChIInChI=1S/C19H26N2OS/c1-22-19-17(6-3-11-20-19)15-21-12-9-16(10-13-21)5-2-7-18-8-4-14-23-18/h3-4,6,8,11,14,16H,2,5,7,9-10,12-13,15H2,1H3
InChIKeyWVWJTYOOBCZAPE-UHFFFAOYSA-N
XLogP4.39
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.50
LogP ≤ 54.39
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-(3-thiophen-2-ylpropyl)piperidin-1-yl]methyl]pyridine?
The IUPAC name of 2-methoxy-3-[[4-(3-thiophen-2-ylpropyl)piperidin-1-yl]methyl]pyridine (CID 22678522) is 2-methoxy-3-[[4-(3-thiophen-2-ylpropyl)piperidin-1-yl]methyl]pyridine.
What is the SMILES notation for 2-methoxy-3-[[4-(3-thiophen-2-ylpropyl)piperidin-1-yl]methyl]pyridine?
The canonical SMILES for 2-methoxy-3-[[4-(3-thiophen-2-ylpropyl)piperidin-1-yl]methyl]pyridine is COc1ncccc1CN1CCC(CCCc2cccs2)CC1.
What is the InChIKey of 2-methoxy-3-[[4-(3-thiophen-2-ylpropyl)piperidin-1-yl]methyl]pyridine?
The InChIKey is WVWJTYOOBCZAPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2OS/c1-22-19-17(6-3-11-20-19)15-21-12-9-16(10-13-21)5-2-7-18-8-4-14-23-18/h3-4,6,8,11,14,16H,2,5,7,9-10,12-13,15H2,1H3.
What are the key properties of 2-methoxy-3-[[4-(3-thiophen-2-ylpropyl)piperidin-1-yl]methyl]pyridine?
2-methoxy-3-[[4-(3-thiophen-2-ylpropyl)piperidin-1-yl]methyl]pyridine has a molecular weight of 330.50 g/mol, XLogP of 4.39, 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-(3-thiophen-2-ylpropyl)piperidin-1-yl]methyl]pyridine is sourced from PubChem (CID 22678522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).