1-[2-[2-(2-methoxy-4-prop-2-enylphenoxy)ethoxy]ethyl]-4-methylpiperidine;oxalic acid

C22H33NO7 — CID 16614115

IUPAC1-[2-[2-(2-methoxy-4-prop-2-enylphenoxy)ethoxy]ethyl]-4-methylpiperidine;oxalic acid
SMILESC=CCc1ccc(OCCOCCN2CCC(C)CC2)c(OC)c1.O=C(O)C(=O)O
InChIInChI=1S/C20H31NO3.C2H2O4/c1-4-5-18-6-7-19(20(16-18)22-3)24-15-14-23-13-12-21-10-8-17(2)9-11-21;3-1(4)2(5)6/h4,6-7,16-17H,1,5,8-15H2,2-3H3;(H,3,4)(H,5,6)
InChIKeyVPYZZUZWVNWBQO-UHFFFAOYSA-N
MW423.51 g/mol
LogP2.71
Rot. Bonds10

About 1-[2-[2-(2-methoxy-4-prop-2-enylphenoxy)ethoxy]ethyl]-4-methylpiperidine;oxalic acid

1-[2-[2-(2-methoxy-4-prop-2-enylphenoxy)ethoxy]ethyl]-4-methylpiperidine;oxalic acid (PubChem CID 16614115) has the molecular formula C22H33NO7 and a molecular weight of 423.51 g/mol. Its IUPAC name is 1-[2-[2-(2-methoxy-4-prop-2-enylphenoxy)ethoxy]ethyl]-4-methylpiperidine;oxalic acid.

Molecular Properties

Compound Name1-[2-[2-(2-methoxy-4-prop-2-enylphenoxy)ethoxy]ethyl]-4-methylpiperidine;oxalic acid
PubChem CID16614115
Molecular FormulaC22H33NO7
Molecular Weight423.51 g/mol
Exact Mass423.23
IUPAC Name1-[2-[2-(2-methoxy-4-prop-2-enylphenoxy)ethoxy]ethyl]-4-methylpiperidine;oxalic acid
SMILESC=CCc1ccc(OCCOCCN2CCC(C)CC2)c(OC)c1.O=C(O)C(=O)O
InChIInChI=1S/C20H31NO3.C2H2O4/c1-4-5-18-6-7-19(20(16-18)22-3)24-15-14-23-13-12-21-10-8-17(2)9-11-21;3-1(4)2(5)6/h4,6-7,16-17H,1,5,8-15H2,2-3H3;(H,3,4)(H,5,6)
InChIKeyVPYZZUZWVNWBQO-UHFFFAOYSA-N
XLogP2.71
TPSA105.53 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.51
LogP ≤ 52.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

1-[2-[2-(2-methoxy-4-prop-2-enylphenoxy)ethoxy]ethyl]azepane;oxalic acid
CID 2944725
2-[2-(2-methoxy-4-prop-2-enylphenoxy)ethoxy]-N,N-dimethylethanamine;oxalic acid
CID 2935417
(3S)-1-[3-(2-methoxy-4-prop-2-enylphenoxy)propyl]-3-methylpiperidine
CID 2182848
(3R,5R)-1-[4-(2-methoxy-4-prop-2-enylphenoxy)butyl]-3,5-dimethylpiperidine
CID 7413062
1-[2-[2-(4-tert-butyl-2-methylphenoxy)ethoxy]ethyl]-4-methylpiperidine;oxalic acid
CID 2924003
1-benzyl-4-[2-(2-methoxy-4-prop-2-enylphenoxy)ethyl]piperazine
CID 2977166
(2R,6R)-4-[2-(2-methoxy-4-prop-2-enylphenoxy)ethyl]-2,6-dimethylmorpholine
CID 888280
1-[2-[2-(2-chloro-5-methylphenoxy)ethoxy]ethyl]-4-methylpiperidine;oxalic acid
CID 44828222
(2S,6S)-4-[3-(2-methoxy-4-prop-2-enylphenoxy)propyl]-2,6-dimethylmorpholine
CID 2184926
(3R,4S)-1-hexyl-3-[(2-methoxy-4-prop-2-enylphenoxy)methyl]-4-phenylpiperidine;oxalic acid
CID 67647141
1-[2-[2-(2-methoxy-4-prop-2-enylphenoxy)ethoxy]ethyl]-1,2,4-triazole
CID 2199939
4-methyl-1-[2-[2-(2,4,6-trimethylphenoxy)ethoxy]ethyl]piperidine;oxalic acid
CID 16616242

Frequently Asked Questions

What is the IUPAC name of 1-[2-[2-(2-methoxy-4-prop-2-enylphenoxy)ethoxy]ethyl]-4-methylpiperidine;oxalic acid?
The IUPAC name of 1-[2-[2-(2-methoxy-4-prop-2-enylphenoxy)ethoxy]ethyl]-4-methylpiperidine;oxalic acid (CID 16614115) is 1-[2-[2-(2-methoxy-4-prop-2-enylphenoxy)ethoxy]ethyl]-4-methylpiperidine;oxalic acid.
What is the SMILES notation for 1-[2-[2-(2-methoxy-4-prop-2-enylphenoxy)ethoxy]ethyl]-4-methylpiperidine;oxalic acid?
The canonical SMILES for 1-[2-[2-(2-methoxy-4-prop-2-enylphenoxy)ethoxy]ethyl]-4-methylpiperidine;oxalic acid is C=CCc1ccc(OCCOCCN2CCC(C)CC2)c(OC)c1.O=C(O)C(=O)O.
What is the InChIKey of 1-[2-[2-(2-methoxy-4-prop-2-enylphenoxy)ethoxy]ethyl]-4-methylpiperidine;oxalic acid?
The InChIKey is VPYZZUZWVNWBQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H31NO3.C2H2O4/c1-4-5-18-6-7-19(20(16-18)22-3)24-15-14-23-13-12-21-10-8-17(2)9-11-21;3-1(4)2(5)6/h4,6-7,16-17H,1,5,8-15H2,2-3H3;(H,3,4)(H,5,6).
What are the key properties of 1-[2-[2-(2-methoxy-4-prop-2-enylphenoxy)ethoxy]ethyl]-4-methylpiperidine;oxalic acid?
1-[2-[2-(2-methoxy-4-prop-2-enylphenoxy)ethoxy]ethyl]-4-methylpiperidine;oxalic acid has a molecular weight of 423.51 g/mol, XLogP of 2.71, 10 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[2-(2-methoxy-4-prop-2-enylphenoxy)ethoxy]ethyl]-4-methylpiperidine;oxalic acid is sourced from PubChem (CID 16614115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).