3,4-dimethoxy-2-[[3-(2-phenylethyl)piperidin-1-yl]methyl]pyridine

C21H28N2O2 — CID 56901145

IUPAC3,4-dimethoxy-2-[[3-(2-phenylethyl)piperidin-1-yl]methyl]pyridine
SMILESCOc1ccnc(CN2CCCC(CCc3ccccc3)C2)c1OC
InChIInChI=1S/C21H28N2O2/c1-24-20-12-13-22-19(21(20)25-2)16-23-14-6-9-18(15-23)11-10-17-7-4-3-5-8-17/h3-5,7-8,12-13,18H,6,9-11,14-16H2,1-2H3
InChIKeyLVSMRCUAMHXESH-UHFFFAOYSA-N
MW340.47 g/mol
LogP3.94
Rot. Bonds7

About 3,4-dimethoxy-2-[[3-(2-phenylethyl)piperidin-1-yl]methyl]pyridine

3,4-dimethoxy-2-[[3-(2-phenylethyl)piperidin-1-yl]methyl]pyridine (PubChem CID 56901145) has the molecular formula C21H28N2O2 and a molecular weight of 340.47 g/mol. Its IUPAC name is 3,4-dimethoxy-2-[[3-(2-phenylethyl)piperidin-1-yl]methyl]pyridine.

Molecular Properties

Compound Name3,4-dimethoxy-2-[[3-(2-phenylethyl)piperidin-1-yl]methyl]pyridine
PubChem CID56901145
Molecular FormulaC21H28N2O2
Molecular Weight340.47 g/mol
Exact Mass340.22
IUPAC Name3,4-dimethoxy-2-[[3-(2-phenylethyl)piperidin-1-yl]methyl]pyridine
SMILESCOc1ccnc(CN2CCCC(CCc3ccccc3)C2)c1OC
InChIInChI=1S/C21H28N2O2/c1-24-20-12-13-22-19(21(20)25-2)16-23-14-6-9-18(15-23)11-10-17-7-4-3-5-8-17/h3-5,7-8,12-13,18H,6,9-11,14-16H2,1-2H3
InChIKeyLVSMRCUAMHXESH-UHFFFAOYSA-N
XLogP3.94
TPSA34.59 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.47
LogP ≤ 53.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3,4-dimethoxy-2-[[3-(2-phenylethyl)piperidin-1-yl]methyl]pyridine?
The IUPAC name of 3,4-dimethoxy-2-[[3-(2-phenylethyl)piperidin-1-yl]methyl]pyridine (CID 56901145) is 3,4-dimethoxy-2-[[3-(2-phenylethyl)piperidin-1-yl]methyl]pyridine.
What is the SMILES notation for 3,4-dimethoxy-2-[[3-(2-phenylethyl)piperidin-1-yl]methyl]pyridine?
The canonical SMILES for 3,4-dimethoxy-2-[[3-(2-phenylethyl)piperidin-1-yl]methyl]pyridine is COc1ccnc(CN2CCCC(CCc3ccccc3)C2)c1OC.
What is the InChIKey of 3,4-dimethoxy-2-[[3-(2-phenylethyl)piperidin-1-yl]methyl]pyridine?
The InChIKey is LVSMRCUAMHXESH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N2O2/c1-24-20-12-13-22-19(21(20)25-2)16-23-14-6-9-18(15-23)11-10-17-7-4-3-5-8-17/h3-5,7-8,12-13,18H,6,9-11,14-16H2,1-2H3.
What are the key properties of 3,4-dimethoxy-2-[[3-(2-phenylethyl)piperidin-1-yl]methyl]pyridine?
3,4-dimethoxy-2-[[3-(2-phenylethyl)piperidin-1-yl]methyl]pyridine has a molecular weight of 340.47 g/mol, XLogP of 3.94, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dimethoxy-2-[[3-(2-phenylethyl)piperidin-1-yl]methyl]pyridine is sourced from PubChem (CID 56901145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).