2-[[4-[(3,5-dimethoxyphenyl)methoxymethyl]piperidin-1-yl]methyl]pyridine

C21H28N2O3 — CID 71784850

IUPAC2-[[4-[(3,5-dimethoxyphenyl)methoxymethyl]piperidin-1-yl]methyl]pyridine
SMILESCOc1cc(COCC2CCN(Cc3ccccn3)CC2)cc(OC)c1
InChIInChI=1S/C21H28N2O3/c1-24-20-11-18(12-21(13-20)25-2)16-26-15-17-6-9-23(10-7-17)14-19-5-3-4-8-22-19/h3-5,8,11-13,17H,6-7,9-10,14-16H2,1-2H3
InChIKeyGPDBTNWSCCWUBP-UHFFFAOYSA-N
MW356.47 g/mol
LogP3.53
Rot. Bonds8

About 2-[[4-[(3,5-dimethoxyphenyl)methoxymethyl]piperidin-1-yl]methyl]pyridine

2-[[4-[(3,5-dimethoxyphenyl)methoxymethyl]piperidin-1-yl]methyl]pyridine (PubChem CID 71784850) has the molecular formula C21H28N2O3 and a molecular weight of 356.47 g/mol. Its IUPAC name is 2-[[4-[(3,5-dimethoxyphenyl)methoxymethyl]piperidin-1-yl]methyl]pyridine.

Molecular Properties

Compound Name2-[[4-[(3,5-dimethoxyphenyl)methoxymethyl]piperidin-1-yl]methyl]pyridine
PubChem CID71784850
Molecular FormulaC21H28N2O3
Molecular Weight356.47 g/mol
Exact Mass356.21
IUPAC Name2-[[4-[(3,5-dimethoxyphenyl)methoxymethyl]piperidin-1-yl]methyl]pyridine
SMILESCOc1cc(COCC2CCN(Cc3ccccn3)CC2)cc(OC)c1
InChIInChI=1S/C21H28N2O3/c1-24-20-11-18(12-21(13-20)25-2)16-26-15-17-6-9-23(10-7-17)14-19-5-3-4-8-22-19/h3-5,8,11-13,17H,6-7,9-10,14-16H2,1-2H3
InChIKeyGPDBTNWSCCWUBP-UHFFFAOYSA-N
XLogP3.53
TPSA43.82 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.47
LogP ≤ 53.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[[4-[(3,5-dimethoxyphenyl)methoxymethyl]piperidin-1-yl]methyl]pyridine?
The IUPAC name of 2-[[4-[(3,5-dimethoxyphenyl)methoxymethyl]piperidin-1-yl]methyl]pyridine (CID 71784850) is 2-[[4-[(3,5-dimethoxyphenyl)methoxymethyl]piperidin-1-yl]methyl]pyridine.
What is the SMILES notation for 2-[[4-[(3,5-dimethoxyphenyl)methoxymethyl]piperidin-1-yl]methyl]pyridine?
The canonical SMILES for 2-[[4-[(3,5-dimethoxyphenyl)methoxymethyl]piperidin-1-yl]methyl]pyridine is COc1cc(COCC2CCN(Cc3ccccn3)CC2)cc(OC)c1.
What is the InChIKey of 2-[[4-[(3,5-dimethoxyphenyl)methoxymethyl]piperidin-1-yl]methyl]pyridine?
The InChIKey is GPDBTNWSCCWUBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N2O3/c1-24-20-11-18(12-21(13-20)25-2)16-26-15-17-6-9-23(10-7-17)14-19-5-3-4-8-22-19/h3-5,8,11-13,17H,6-7,9-10,14-16H2,1-2H3.
What are the key properties of 2-[[4-[(3,5-dimethoxyphenyl)methoxymethyl]piperidin-1-yl]methyl]pyridine?
2-[[4-[(3,5-dimethoxyphenyl)methoxymethyl]piperidin-1-yl]methyl]pyridine has a molecular weight of 356.47 g/mol, XLogP of 3.53, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-[(3,5-dimethoxyphenyl)methoxymethyl]piperidin-1-yl]methyl]pyridine is sourced from PubChem (CID 71784850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).