5-(methoxymethyl)-4-phenyl-1,2,3,6-tetrahydropyridine

C13H17NO — CID 91109026

IUPAC5-(methoxymethyl)-4-phenyl-1,2,3,6-tetrahydropyridine
SMILESCOCC1=C(c2ccccc2)CCNC1
InChIInChI=1S/C13H17NO/c1-15-10-12-9-14-8-7-13(12)11-5-3-2-4-6-11/h2-6,14H,7-10H2,1H3
InChIKeyNOQMKHNPMPKDIN-UHFFFAOYSA-N
MW203.29 g/mol
LogP2.08
Rot. Bonds3

About 5-(methoxymethyl)-4-phenyl-1,2,3,6-tetrahydropyridine

5-(methoxymethyl)-4-phenyl-1,2,3,6-tetrahydropyridine (PubChem CID 91109026) has the molecular formula C13H17NO and a molecular weight of 203.29 g/mol. Its IUPAC name is 5-(methoxymethyl)-4-phenyl-1,2,3,6-tetrahydropyridine.

Molecular Properties

Compound Name5-(methoxymethyl)-4-phenyl-1,2,3,6-tetrahydropyridine
PubChem CID91109026
Molecular FormulaC13H17NO
Molecular Weight203.29 g/mol
Exact Mass203.13
IUPAC Name5-(methoxymethyl)-4-phenyl-1,2,3,6-tetrahydropyridine
SMILESCOCC1=C(c2ccccc2)CCNC1
InChIInChI=1S/C13H17NO/c1-15-10-12-9-14-8-7-13(12)11-5-3-2-4-6-11/h2-6,14H,7-10H2,1H3
InChIKeyNOQMKHNPMPKDIN-UHFFFAOYSA-N
XLogP2.08
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.29
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-(methoxymethyl)-4-phenyl-1,2,3,6-tetrahydropyridine?
The IUPAC name of 5-(methoxymethyl)-4-phenyl-1,2,3,6-tetrahydropyridine (CID 91109026) is 5-(methoxymethyl)-4-phenyl-1,2,3,6-tetrahydropyridine.
What is the SMILES notation for 5-(methoxymethyl)-4-phenyl-1,2,3,6-tetrahydropyridine?
The canonical SMILES for 5-(methoxymethyl)-4-phenyl-1,2,3,6-tetrahydropyridine is COCC1=C(c2ccccc2)CCNC1.
What is the InChIKey of 5-(methoxymethyl)-4-phenyl-1,2,3,6-tetrahydropyridine?
The InChIKey is NOQMKHNPMPKDIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO/c1-15-10-12-9-14-8-7-13(12)11-5-3-2-4-6-11/h2-6,14H,7-10H2,1H3.
What are the key properties of 5-(methoxymethyl)-4-phenyl-1,2,3,6-tetrahydropyridine?
5-(methoxymethyl)-4-phenyl-1,2,3,6-tetrahydropyridine has a molecular weight of 203.29 g/mol, XLogP of 2.08, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(methoxymethyl)-4-phenyl-1,2,3,6-tetrahydropyridine is sourced from PubChem (CID 91109026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).