3-[(2,3-dimethylphenoxy)-piperidin-4-ylmethyl]pyridine

C19H24N2O — CID 45268898

IUPAC3-[(2,3-dimethylphenoxy)-piperidin-4-ylmethyl]pyridine
SMILESCc1cccc(OC(c2cccnc2)C2CCNCC2)c1C
InChIInChI=1S/C19H24N2O/c1-14-5-3-7-18(15(14)2)22-19(16-8-11-20-12-9-16)17-6-4-10-21-13-17/h3-7,10,13,16,19-20H,8-9,11-12H2,1-2H3
InChIKeyILOAMTJMRVQTSL-UHFFFAOYSA-N
MW296.41 g/mol
LogP3.82
Rot. Bonds4

About 3-[(2,3-dimethylphenoxy)-piperidin-4-ylmethyl]pyridine

3-[(2,3-dimethylphenoxy)-piperidin-4-ylmethyl]pyridine (PubChem CID 45268898) has the molecular formula C19H24N2O and a molecular weight of 296.41 g/mol. Its IUPAC name is 3-[(2,3-dimethylphenoxy)-piperidin-4-ylmethyl]pyridine.

Molecular Properties

Compound Name3-[(2,3-dimethylphenoxy)-piperidin-4-ylmethyl]pyridine
PubChem CID45268898
Molecular FormulaC19H24N2O
Molecular Weight296.41 g/mol
Exact Mass296.19
IUPAC Name3-[(2,3-dimethylphenoxy)-piperidin-4-ylmethyl]pyridine
SMILESCc1cccc(OC(c2cccnc2)C2CCNCC2)c1C
InChIInChI=1S/C19H24N2O/c1-14-5-3-7-18(15(14)2)22-19(16-8-11-20-12-9-16)17-6-4-10-21-13-17/h3-7,10,13,16,19-20H,8-9,11-12H2,1-2H3
InChIKeyILOAMTJMRVQTSL-UHFFFAOYSA-N
XLogP3.82
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.41
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[(2,3-dimethylphenoxy)-piperidin-4-ylmethyl]pyridine?
The IUPAC name of 3-[(2,3-dimethylphenoxy)-piperidin-4-ylmethyl]pyridine (CID 45268898) is 3-[(2,3-dimethylphenoxy)-piperidin-4-ylmethyl]pyridine.
What is the SMILES notation for 3-[(2,3-dimethylphenoxy)-piperidin-4-ylmethyl]pyridine?
The canonical SMILES for 3-[(2,3-dimethylphenoxy)-piperidin-4-ylmethyl]pyridine is Cc1cccc(OC(c2cccnc2)C2CCNCC2)c1C.
What is the InChIKey of 3-[(2,3-dimethylphenoxy)-piperidin-4-ylmethyl]pyridine?
The InChIKey is ILOAMTJMRVQTSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O/c1-14-5-3-7-18(15(14)2)22-19(16-8-11-20-12-9-16)17-6-4-10-21-13-17/h3-7,10,13,16,19-20H,8-9,11-12H2,1-2H3.
What are the key properties of 3-[(2,3-dimethylphenoxy)-piperidin-4-ylmethyl]pyridine?
3-[(2,3-dimethylphenoxy)-piperidin-4-ylmethyl]pyridine has a molecular weight of 296.41 g/mol, XLogP of 3.82, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2,3-dimethylphenoxy)-piperidin-4-ylmethyl]pyridine is sourced from PubChem (CID 45268898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).