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

C18H24N2OS — CID 22678491

IUPAC2-methoxy-3-[[4-(2-thiophen-2-ylethyl)piperidin-1-yl]methyl]pyridine
SMILESCOc1ncccc1CN1CCC(CCc2cccs2)CC1
InChIInChI=1S/C18H24N2OS/c1-21-18-16(4-2-10-19-18)14-20-11-8-15(9-12-20)6-7-17-5-3-13-22-17/h2-5,10,13,15H,6-9,11-12,14H2,1H3
InChIKeyZQDPTGFWOQYLCG-UHFFFAOYSA-N
MW316.47 g/mol
LogP4.00
Rot. Bonds6

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

2-methoxy-3-[[4-(2-thiophen-2-ylethyl)piperidin-1-yl]methyl]pyridine (PubChem CID 22678491) has the molecular formula C18H24N2OS and a molecular weight of 316.47 g/mol. Its IUPAC name is 2-methoxy-3-[[4-(2-thiophen-2-ylethyl)piperidin-1-yl]methyl]pyridine.

Molecular Properties

Compound Name2-methoxy-3-[[4-(2-thiophen-2-ylethyl)piperidin-1-yl]methyl]pyridine
PubChem CID22678491
Molecular FormulaC18H24N2OS
Molecular Weight316.47 g/mol
Exact Mass316.16
IUPAC Name2-methoxy-3-[[4-(2-thiophen-2-ylethyl)piperidin-1-yl]methyl]pyridine
SMILESCOc1ncccc1CN1CCC(CCc2cccs2)CC1
InChIInChI=1S/C18H24N2OS/c1-21-18-16(4-2-10-19-18)14-20-11-8-15(9-12-20)6-7-17-5-3-13-22-17/h2-5,10,13,15H,6-9,11-12,14H2,1H3
InChIKeyZQDPTGFWOQYLCG-UHFFFAOYSA-N
XLogP4.00
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.47
LogP ≤ 54.00
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-thiophen-2-ylethyl)piperidin-1-yl]methyl]pyridine?
The IUPAC name of 2-methoxy-3-[[4-(2-thiophen-2-ylethyl)piperidin-1-yl]methyl]pyridine (CID 22678491) is 2-methoxy-3-[[4-(2-thiophen-2-ylethyl)piperidin-1-yl]methyl]pyridine.
What is the SMILES notation for 2-methoxy-3-[[4-(2-thiophen-2-ylethyl)piperidin-1-yl]methyl]pyridine?
The canonical SMILES for 2-methoxy-3-[[4-(2-thiophen-2-ylethyl)piperidin-1-yl]methyl]pyridine is COc1ncccc1CN1CCC(CCc2cccs2)CC1.
What is the InChIKey of 2-methoxy-3-[[4-(2-thiophen-2-ylethyl)piperidin-1-yl]methyl]pyridine?
The InChIKey is ZQDPTGFWOQYLCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2OS/c1-21-18-16(4-2-10-19-18)14-20-11-8-15(9-12-20)6-7-17-5-3-13-22-17/h2-5,10,13,15H,6-9,11-12,14H2,1H3.
What are the key properties of 2-methoxy-3-[[4-(2-thiophen-2-ylethyl)piperidin-1-yl]methyl]pyridine?
2-methoxy-3-[[4-(2-thiophen-2-ylethyl)piperidin-1-yl]methyl]pyridine has a molecular weight of 316.47 g/mol, XLogP of 4.00, 6 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-thiophen-2-ylethyl)piperidin-1-yl]methyl]pyridine is sourced from PubChem (CID 22678491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).