1-methyl-4-phenoxy-3,6-dihydro-2H-pyridine;oxalic acid

C14H17NO5 — CID 71345759

IUPAC1-methyl-4-phenoxy-3,6-dihydro-2H-pyridine;oxalic acid
SMILESCN1CC=C(Oc2ccccc2)CC1.O=C(O)C(=O)O
InChIInChI=1S/C12H15NO.C2H2O4/c1-13-9-7-12(8-10-13)14-11-5-3-2-4-6-11;3-1(4)2(5)6/h2-7H,8-10H2,1H3;(H,3,4)(H,5,6)
InChIKeyWVFJOLOOFGTCQV-UHFFFAOYSA-N
MW279.29 g/mol
LogP1.44
Rot. Bonds2

About 1-methyl-4-phenoxy-3,6-dihydro-2H-pyridine;oxalic acid

1-methyl-4-phenoxy-3,6-dihydro-2H-pyridine;oxalic acid (PubChem CID 71345759) has the molecular formula C14H17NO5 and a molecular weight of 279.29 g/mol. Its IUPAC name is 1-methyl-4-phenoxy-3,6-dihydro-2H-pyridine;oxalic acid.

Molecular Properties

Compound Name1-methyl-4-phenoxy-3,6-dihydro-2H-pyridine;oxalic acid
PubChem CID71345759
Molecular FormulaC14H17NO5
Molecular Weight279.29 g/mol
Exact Mass279.11
IUPAC Name1-methyl-4-phenoxy-3,6-dihydro-2H-pyridine;oxalic acid
SMILESCN1CC=C(Oc2ccccc2)CC1.O=C(O)C(=O)O
InChIInChI=1S/C12H15NO.C2H2O4/c1-13-9-7-12(8-10-13)14-11-5-3-2-4-6-11;3-1(4)2(5)6/h2-7H,8-10H2,1H3;(H,3,4)(H,5,6)
InChIKeyWVFJOLOOFGTCQV-UHFFFAOYSA-N
XLogP1.44
TPSA87.07 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.29
LogP ≤ 51.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

1-methyl-4-(4-phenylphenoxy)-3,6-dihydro-2H-pyridine
CID 10244611
1-methyl-4-(4-nitrophenoxy)-3,6-dihydro-2H-pyridine
CID 10059915
3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-5-phenoxy-1H-indole;oxalic acid
CID 44533059
1-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)ethanone;oxalic acid
CID 11983341
(1-methyl-3,6-dihydro-2H-pyridin-4-yl) N-phenylmethanimidate
CID 20756942
(1-methyl-3,6-dihydro-2H-pyridin-4-yl)oxymethanol
CID 20756950
(E)-2-[1-(4-fluorophenyl)-1-oxo-4-(4-phenoxy-3,6-dihydro-2H-pyridin-1-yl)butan-2-yl]but-2-enedioic acid
CID 70595167
oxalic acid;N-phenyl-N-[3-[4-[3-(trifluoromethyl)phenoxy]-3,6-dihydro-2H-pyridin-1-yl]propyl]aniline
CID 86738025
ethyl 1-methyl-3,6-dihydro-2H-pyridine-4-carboxylate
CID 566021
ethane;phenyl 4-(trifluoromethylsulfonyloxy)-3,6-dihydro-2H-pyridine-1-carboxylate
CID 90990755
2-methyl-6-phenoxy-3,4-dihydro-1H-isoquinoline
CID 166626286
N-[(1-methyl-3,6-dihydro-2H-pyridin-4-yl)methyl]-2-phenylmethoxyacetamide
CID 50950025

Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-phenoxy-3,6-dihydro-2H-pyridine;oxalic acid?
The IUPAC name of 1-methyl-4-phenoxy-3,6-dihydro-2H-pyridine;oxalic acid (CID 71345759) is 1-methyl-4-phenoxy-3,6-dihydro-2H-pyridine;oxalic acid.
What is the SMILES notation for 1-methyl-4-phenoxy-3,6-dihydro-2H-pyridine;oxalic acid?
The canonical SMILES for 1-methyl-4-phenoxy-3,6-dihydro-2H-pyridine;oxalic acid is CN1CC=C(Oc2ccccc2)CC1.O=C(O)C(=O)O.
What is the InChIKey of 1-methyl-4-phenoxy-3,6-dihydro-2H-pyridine;oxalic acid?
The InChIKey is WVFJOLOOFGTCQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO.C2H2O4/c1-13-9-7-12(8-10-13)14-11-5-3-2-4-6-11;3-1(4)2(5)6/h2-7H,8-10H2,1H3;(H,3,4)(H,5,6).
What are the key properties of 1-methyl-4-phenoxy-3,6-dihydro-2H-pyridine;oxalic acid?
1-methyl-4-phenoxy-3,6-dihydro-2H-pyridine;oxalic acid has a molecular weight of 279.29 g/mol, XLogP of 1.44, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-phenoxy-3,6-dihydro-2H-pyridine;oxalic acid is sourced from PubChem (CID 71345759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).