3-[[3-[(2-methylphenyl)methyl]piperidin-3-yl]methoxy]pyridine

C19H24N2O — CID 155519763

IUPAC3-[[3-[(2-methylphenyl)methyl]piperidin-3-yl]methoxy]pyridine
SMILESCc1ccccc1CC1(COc2cccnc2)CCCNC1
InChIInChI=1S/C19H24N2O/c1-16-6-2-3-7-17(16)12-19(9-5-11-21-14-19)15-22-18-8-4-10-20-13-18/h2-4,6-8,10,13,21H,5,9,11-12,14-15H2,1H3
InChIKeyCVWOTHFEDWWOMQ-UHFFFAOYSA-N
MW296.41 g/mol
LogP3.38
Rot. Bonds5

About 3-[[3-[(2-methylphenyl)methyl]piperidin-3-yl]methoxy]pyridine

3-[[3-[(2-methylphenyl)methyl]piperidin-3-yl]methoxy]pyridine (PubChem CID 155519763) has the molecular formula C19H24N2O and a molecular weight of 296.41 g/mol. Its IUPAC name is 3-[[3-[(2-methylphenyl)methyl]piperidin-3-yl]methoxy]pyridine.

Molecular Properties

Compound Name3-[[3-[(2-methylphenyl)methyl]piperidin-3-yl]methoxy]pyridine
PubChem CID155519763
Molecular FormulaC19H24N2O
Molecular Weight296.41 g/mol
Exact Mass296.19
IUPAC Name3-[[3-[(2-methylphenyl)methyl]piperidin-3-yl]methoxy]pyridine
SMILESCc1ccccc1CC1(COc2cccnc2)CCCNC1
InChIInChI=1S/C19H24N2O/c1-16-6-2-3-7-17(16)12-19(9-5-11-21-14-19)15-22-18-8-4-10-20-13-18/h2-4,6-8,10,13,21H,5,9,11-12,14-15H2,1H3
InChIKeyCVWOTHFEDWWOMQ-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-[(2-methylphenyl)methyl]piperidin-3-yl]methoxy]pyridine?
The IUPAC name of 3-[[3-[(2-methylphenyl)methyl]piperidin-3-yl]methoxy]pyridine (CID 155519763) is 3-[[3-[(2-methylphenyl)methyl]piperidin-3-yl]methoxy]pyridine.
What is the SMILES notation for 3-[[3-[(2-methylphenyl)methyl]piperidin-3-yl]methoxy]pyridine?
The canonical SMILES for 3-[[3-[(2-methylphenyl)methyl]piperidin-3-yl]methoxy]pyridine is Cc1ccccc1CC1(COc2cccnc2)CCCNC1.
What is the InChIKey of 3-[[3-[(2-methylphenyl)methyl]piperidin-3-yl]methoxy]pyridine?
The InChIKey is CVWOTHFEDWWOMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O/c1-16-6-2-3-7-17(16)12-19(9-5-11-21-14-19)15-22-18-8-4-10-20-13-18/h2-4,6-8,10,13,21H,5,9,11-12,14-15H2,1H3.
What are the key properties of 3-[[3-[(2-methylphenyl)methyl]piperidin-3-yl]methoxy]pyridine?
3-[[3-[(2-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-[(2-methylphenyl)methyl]piperidin-3-yl]methoxy]pyridine is sourced from PubChem (CID 155519763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).