3-[[3-[(3-methylphenyl)methyl]piperidin-3-yl]methoxy]pyridine

C19H24N2O — CID 155522513

IUPAC3-[[3-[(3-methylphenyl)methyl]piperidin-3-yl]methoxy]pyridine
SMILESCc1cccc(CC2(COc3cccnc3)CCCNC2)c1
InChIInChI=1S/C19H24N2O/c1-16-5-2-6-17(11-16)12-19(8-4-10-21-14-19)15-22-18-7-3-9-20-13-18/h2-3,5-7,9,11,13,21H,4,8,10,12,14-15H2,1H3
InChIKeyLPVQFQGWMJKPEU-UHFFFAOYSA-N
MW296.41 g/mol
LogP3.38
Rot. Bonds5

About 3-[[3-[(3-methylphenyl)methyl]piperidin-3-yl]methoxy]pyridine

3-[[3-[(3-methylphenyl)methyl]piperidin-3-yl]methoxy]pyridine (PubChem CID 155522513) has the molecular formula C19H24N2O and a molecular weight of 296.41 g/mol. Its IUPAC name is 3-[[3-[(3-methylphenyl)methyl]piperidin-3-yl]methoxy]pyridine.

Molecular Properties

Compound Name3-[[3-[(3-methylphenyl)methyl]piperidin-3-yl]methoxy]pyridine
PubChem CID155522513
Molecular FormulaC19H24N2O
Molecular Weight296.41 g/mol
Exact Mass296.19
IUPAC Name3-[[3-[(3-methylphenyl)methyl]piperidin-3-yl]methoxy]pyridine
SMILESCc1cccc(CC2(COc3cccnc3)CCCNC2)c1
InChIInChI=1S/C19H24N2O/c1-16-5-2-6-17(11-16)12-19(8-4-10-21-14-19)15-22-18-7-3-9-20-13-18/h2-3,5-7,9,11,13,21H,4,8,10,12,14-15H2,1H3
InChIKeyLPVQFQGWMJKPEU-UHFFFAOYSA-N
XLogP3.38
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.41
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[[3-[(3-methylphenyl)methyl]piperidin-3-yl]methoxy]pyridine?
The IUPAC name of 3-[[3-[(3-methylphenyl)methyl]piperidin-3-yl]methoxy]pyridine (CID 155522513) is 3-[[3-[(3-methylphenyl)methyl]piperidin-3-yl]methoxy]pyridine.
What is the SMILES notation for 3-[[3-[(3-methylphenyl)methyl]piperidin-3-yl]methoxy]pyridine?
The canonical SMILES for 3-[[3-[(3-methylphenyl)methyl]piperidin-3-yl]methoxy]pyridine is Cc1cccc(CC2(COc3cccnc3)CCCNC2)c1.
What is the InChIKey of 3-[[3-[(3-methylphenyl)methyl]piperidin-3-yl]methoxy]pyridine?
The InChIKey is LPVQFQGWMJKPEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O/c1-16-5-2-6-17(11-16)12-19(8-4-10-21-14-19)15-22-18-7-3-9-20-13-18/h2-3,5-7,9,11,13,21H,4,8,10,12,14-15H2,1H3.
What are the key properties of 3-[[3-[(3-methylphenyl)methyl]piperidin-3-yl]methoxy]pyridine?
3-[[3-[(3-methylphenyl)methyl]piperidin-3-yl]methoxy]pyridine has a molecular weight of 296.41 g/mol, XLogP of 3.38, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[3-[(3-methylphenyl)methyl]piperidin-3-yl]methoxy]pyridine is sourced from PubChem (CID 155522513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).