(2R,6S)-2-ethyl-5-methoxy-6-phenyl-1,2,3,6-tetrahydropyridine

C14H19NO — CID 102016733

IUPAC(2R,6S)-2-ethyl-5-methoxy-6-phenyl-1,2,3,6-tetrahydropyridine
SMILESCC[C@@H]1CC=C(OC)[C@H](c2ccccc2)N1
InChIInChI=1S/C14H19NO/c1-3-12-9-10-13(16-2)14(15-12)11-7-5-4-6-8-11/h4-8,10,12,14-15H,3,9H2,1-2H3/t12-,14+/m1/s1
InChIKeyWPGIZIUTYMMZDR-OCCSQVGLSA-N
MW217.31 g/mol
LogP3.03
Rot. Bonds3

About (2R,6S)-2-ethyl-5-methoxy-6-phenyl-1,2,3,6-tetrahydropyridine

(2R,6S)-2-ethyl-5-methoxy-6-phenyl-1,2,3,6-tetrahydropyridine (PubChem CID 102016733) has the molecular formula C14H19NO and a molecular weight of 217.31 g/mol. Its IUPAC name is (2R,6S)-2-ethyl-5-methoxy-6-phenyl-1,2,3,6-tetrahydropyridine.

Molecular Properties

Compound Name(2R,6S)-2-ethyl-5-methoxy-6-phenyl-1,2,3,6-tetrahydropyridine
PubChem CID102016733
Molecular FormulaC14H19NO
Molecular Weight217.31 g/mol
Exact Mass217.15
IUPAC Name(2R,6S)-2-ethyl-5-methoxy-6-phenyl-1,2,3,6-tetrahydropyridine
SMILESCC[C@@H]1CC=C(OC)[C@H](c2ccccc2)N1
InChIInChI=1S/C14H19NO/c1-3-12-9-10-13(16-2)14(15-12)11-7-5-4-6-8-11/h4-8,10,12,14-15H,3,9H2,1-2H3/t12-,14+/m1/s1
InChIKeyWPGIZIUTYMMZDR-OCCSQVGLSA-N
XLogP3.03
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.31
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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(1R,3R)-3-ethyl-1-phenyl-1,2,3,4-tetrahydroisoquinoline
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3-ethyl-1-methyl-5-phenylpiperazine
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5-ethyl-2-methyl-3-phenylthiomorpholine
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dimethyl (2R,5R)-2,5-diphenyl-2,5-dihydro-1H-pyrrole-3,4-dicarboxylate
CID 101203349
(2R,5R)-2-benzyl-5-ethylpyrrolidine
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(2R,4S)-4-(methoxymethyl)-2-phenylimidazolidine
CID 89230027
N-benzyl-2,6-diethylpiperidin-4-amine
CID 174569983
(5Z)-5-benzylidene-4-(4-methoxyphenyl)-2,6-diphenyl-2,6-dihydro-1H-pyrimidine
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2-ethyl-6-phenyl-1,3-diazinan-4-one
CID 78214180

Frequently Asked Questions

What is the IUPAC name of (2R,6S)-2-ethyl-5-methoxy-6-phenyl-1,2,3,6-tetrahydropyridine?
The IUPAC name of (2R,6S)-2-ethyl-5-methoxy-6-phenyl-1,2,3,6-tetrahydropyridine (CID 102016733) is (2R,6S)-2-ethyl-5-methoxy-6-phenyl-1,2,3,6-tetrahydropyridine.
What is the SMILES notation for (2R,6S)-2-ethyl-5-methoxy-6-phenyl-1,2,3,6-tetrahydropyridine?
The canonical SMILES for (2R,6S)-2-ethyl-5-methoxy-6-phenyl-1,2,3,6-tetrahydropyridine is CC[C@@H]1CC=C(OC)[C@H](c2ccccc2)N1.
What is the InChIKey of (2R,6S)-2-ethyl-5-methoxy-6-phenyl-1,2,3,6-tetrahydropyridine?
The InChIKey is WPGIZIUTYMMZDR-OCCSQVGLSA-N. The full InChI is InChI=1S/C14H19NO/c1-3-12-9-10-13(16-2)14(15-12)11-7-5-4-6-8-11/h4-8,10,12,14-15H,3,9H2,1-2H3/t12-,14+/m1/s1.
What are the key properties of (2R,6S)-2-ethyl-5-methoxy-6-phenyl-1,2,3,6-tetrahydropyridine?
(2R,6S)-2-ethyl-5-methoxy-6-phenyl-1,2,3,6-tetrahydropyridine has a molecular weight of 217.31 g/mol, XLogP of 3.03, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,6S)-2-ethyl-5-methoxy-6-phenyl-1,2,3,6-tetrahydropyridine is sourced from PubChem (CID 102016733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).