3-[[1-[2-(4-methoxyphenyl)propyl]piperidin-4-yl]methyl]pyridine

C21H28N2O — CID 75451917

IUPAC3-[[1-[2-(4-methoxyphenyl)propyl]piperidin-4-yl]methyl]pyridine
SMILESCOc1ccc(C(C)CN2CCC(Cc3cccnc3)CC2)cc1
InChIInChI=1S/C21H28N2O/c1-17(20-5-7-21(24-2)8-6-20)16-23-12-9-18(10-13-23)14-19-4-3-11-22-15-19/h3-8,11,15,17-18H,9-10,12-14,16H2,1-2H3
InChIKeyITHMHVYUEDYUHW-UHFFFAOYSA-N
MW324.47 g/mol
LogP4.15
Rot. Bonds6

About 3-[[1-[2-(4-methoxyphenyl)propyl]piperidin-4-yl]methyl]pyridine

3-[[1-[2-(4-methoxyphenyl)propyl]piperidin-4-yl]methyl]pyridine (PubChem CID 75451917) has the molecular formula C21H28N2O and a molecular weight of 324.47 g/mol. Its IUPAC name is 3-[[1-[2-(4-methoxyphenyl)propyl]piperidin-4-yl]methyl]pyridine.

Molecular Properties

Compound Name3-[[1-[2-(4-methoxyphenyl)propyl]piperidin-4-yl]methyl]pyridine
PubChem CID75451917
Molecular FormulaC21H28N2O
Molecular Weight324.47 g/mol
Exact Mass324.22
IUPAC Name3-[[1-[2-(4-methoxyphenyl)propyl]piperidin-4-yl]methyl]pyridine
SMILESCOc1ccc(C(C)CN2CCC(Cc3cccnc3)CC2)cc1
InChIInChI=1S/C21H28N2O/c1-17(20-5-7-21(24-2)8-6-20)16-23-12-9-18(10-13-23)14-19-4-3-11-22-15-19/h3-8,11,15,17-18H,9-10,12-14,16H2,1-2H3
InChIKeyITHMHVYUEDYUHW-UHFFFAOYSA-N
XLogP4.15
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.47
LogP ≤ 54.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[[1-[2-(4-methoxyphenyl)propyl]piperidin-4-yl]methyl]pyridine?
The IUPAC name of 3-[[1-[2-(4-methoxyphenyl)propyl]piperidin-4-yl]methyl]pyridine (CID 75451917) is 3-[[1-[2-(4-methoxyphenyl)propyl]piperidin-4-yl]methyl]pyridine.
What is the SMILES notation for 3-[[1-[2-(4-methoxyphenyl)propyl]piperidin-4-yl]methyl]pyridine?
The canonical SMILES for 3-[[1-[2-(4-methoxyphenyl)propyl]piperidin-4-yl]methyl]pyridine is COc1ccc(C(C)CN2CCC(Cc3cccnc3)CC2)cc1.
What is the InChIKey of 3-[[1-[2-(4-methoxyphenyl)propyl]piperidin-4-yl]methyl]pyridine?
The InChIKey is ITHMHVYUEDYUHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N2O/c1-17(20-5-7-21(24-2)8-6-20)16-23-12-9-18(10-13-23)14-19-4-3-11-22-15-19/h3-8,11,15,17-18H,9-10,12-14,16H2,1-2H3.
What are the key properties of 3-[[1-[2-(4-methoxyphenyl)propyl]piperidin-4-yl]methyl]pyridine?
3-[[1-[2-(4-methoxyphenyl)propyl]piperidin-4-yl]methyl]pyridine has a molecular weight of 324.47 g/mol, XLogP of 4.15, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[1-[2-(4-methoxyphenyl)propyl]piperidin-4-yl]methyl]pyridine is sourced from PubChem (CID 75451917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).