1-[2-[2-(3-methoxyphenoxy)ethoxy]ethyl]-3,5-dimethylpiperidine;oxalic acid

C20H31NO7 — CID 2934230

IUPAC1-[2-[2-(3-methoxyphenoxy)ethoxy]ethyl]-3,5-dimethylpiperidine;oxalic acid
SMILESCOc1cccc(OCCOCCN2CC(C)CC(C)C2)c1.O=C(O)C(=O)O
InChIInChI=1S/C18H29NO3.C2H2O4/c1-15-11-16(2)14-19(13-15)7-8-21-9-10-22-18-6-4-5-17(12-18)20-3;3-1(4)2(5)6/h4-6,12,15-16H,7-11,13-14H2,1-3H3;(H,3,4)(H,5,6)
InChIKeyVNQRQDCPCOVECA-UHFFFAOYSA-N
MW397.47 g/mol
LogP2.22
Rot. Bonds8

About 1-[2-[2-(3-methoxyphenoxy)ethoxy]ethyl]-3,5-dimethylpiperidine;oxalic acid

1-[2-[2-(3-methoxyphenoxy)ethoxy]ethyl]-3,5-dimethylpiperidine;oxalic acid (PubChem CID 2934230) has the molecular formula C20H31NO7 and a molecular weight of 397.47 g/mol. Its IUPAC name is 1-[2-[2-(3-methoxyphenoxy)ethoxy]ethyl]-3,5-dimethylpiperidine;oxalic acid.

Molecular Properties

Compound Name1-[2-[2-(3-methoxyphenoxy)ethoxy]ethyl]-3,5-dimethylpiperidine;oxalic acid
PubChem CID2934230
Molecular FormulaC20H31NO7
Molecular Weight397.47 g/mol
Exact Mass397.21
IUPAC Name1-[2-[2-(3-methoxyphenoxy)ethoxy]ethyl]-3,5-dimethylpiperidine;oxalic acid
SMILESCOc1cccc(OCCOCCN2CC(C)CC(C)C2)c1.O=C(O)C(=O)O
InChIInChI=1S/C18H29NO3.C2H2O4/c1-15-11-16(2)14-19(13-15)7-8-21-9-10-22-18-6-4-5-17(12-18)20-3;3-1(4)2(5)6/h4-6,12,15-16H,7-11,13-14H2,1-3H3;(H,3,4)(H,5,6)
InChIKeyVNQRQDCPCOVECA-UHFFFAOYSA-N
XLogP2.22
TPSA105.53 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.47
LogP ≤ 52.22
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'}

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Related Compounds

3,5-dimethyl-1-[2-[2-(3-phenoxyphenoxy)ethoxy]ethyl]piperidine;oxalic acid
CID 2935913
4-[2-[2-(3-ethylphenoxy)ethoxy]ethyl]-2,6-dimethylmorpholine;oxalic acid
CID 2934633
1-[3-(3-methoxyphenoxy)propyl]azepane;oxalic acid
CID 2944095
1-[3-[2-[2-[(3S)-3-methylpiperidin-1-yl]ethoxy]ethoxy]phenyl]ethanone
CID 7394006
1-methoxy-3-[2-[2-(3-methoxyphenoxy)ethoxy]ethoxy]benzene
CID 2263044
4-[2-(3-ethoxyphenoxy)ethyl]-2,6-dimethylmorpholine;oxalic acid
CID 2934905
1-[3-[2-[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]ethoxy]ethoxy]phenyl]ethanone
CID 7379667
N-[4-[(3S,5R)-3,5-dimethylpiperidin-1-yl]butyl]-3-methoxybenzamide
CID 94123444
(2R)-1-[(3R,5R)-3,5-dimethylpiperidin-1-yl]-3-(3-methoxyphenoxy)propan-2-ol
CID 42219804
1-[2-(4-methoxyphenoxy)ethyl]-5-methylpiperidine-3-carboxylic acid
CID 122121719
(2S)-1-[(3S,5S)-3,5-dimethylpiperidin-1-yl]-3-(3-methoxyphenoxy)propan-2-ol
CID 829491
(2S)-N-[3-[(3S,5R)-3,5-dimethylpiperidin-1-yl]propyl]-2-(3-methoxyphenoxy)butanamide
CID 28631887

Frequently Asked Questions

What is the IUPAC name of 1-[2-[2-(3-methoxyphenoxy)ethoxy]ethyl]-3,5-dimethylpiperidine;oxalic acid?
The IUPAC name of 1-[2-[2-(3-methoxyphenoxy)ethoxy]ethyl]-3,5-dimethylpiperidine;oxalic acid (CID 2934230) is 1-[2-[2-(3-methoxyphenoxy)ethoxy]ethyl]-3,5-dimethylpiperidine;oxalic acid.
What is the SMILES notation for 1-[2-[2-(3-methoxyphenoxy)ethoxy]ethyl]-3,5-dimethylpiperidine;oxalic acid?
The canonical SMILES for 1-[2-[2-(3-methoxyphenoxy)ethoxy]ethyl]-3,5-dimethylpiperidine;oxalic acid is COc1cccc(OCCOCCN2CC(C)CC(C)C2)c1.O=C(O)C(=O)O.
What is the InChIKey of 1-[2-[2-(3-methoxyphenoxy)ethoxy]ethyl]-3,5-dimethylpiperidine;oxalic acid?
The InChIKey is VNQRQDCPCOVECA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29NO3.C2H2O4/c1-15-11-16(2)14-19(13-15)7-8-21-9-10-22-18-6-4-5-17(12-18)20-3;3-1(4)2(5)6/h4-6,12,15-16H,7-11,13-14H2,1-3H3;(H,3,4)(H,5,6).
What are the key properties of 1-[2-[2-(3-methoxyphenoxy)ethoxy]ethyl]-3,5-dimethylpiperidine;oxalic acid?
1-[2-[2-(3-methoxyphenoxy)ethoxy]ethyl]-3,5-dimethylpiperidine;oxalic acid has a molecular weight of 397.47 g/mol, XLogP of 2.22, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[2-(3-methoxyphenoxy)ethoxy]ethyl]-3,5-dimethylpiperidine;oxalic acid is sourced from PubChem (CID 2934230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).