3-methyl-1-[2-[2-(2-phenylphenoxy)ethoxy]ethyl]piperidine;oxalic acid

C24H31NO6 — CID 2935041

IUPAC3-methyl-1-[2-[2-(2-phenylphenoxy)ethoxy]ethyl]piperidine;oxalic acid
SMILESCC1CCCN(CCOCCOc2ccccc2-c2ccccc2)C1.O=C(O)C(=O)O
InChIInChI=1S/C22H29NO2.C2H2O4/c1-19-8-7-13-23(18-19)14-15-24-16-17-25-22-12-6-5-11-21(22)20-9-3-2-4-10-20;3-1(4)2(5)6/h2-6,9-12,19H,7-8,13-18H2,1H3;(H,3,4)(H,5,6)
InChIKeyBCODXIGSXSNABZ-UHFFFAOYSA-N
MW429.51 g/mol
LogP3.64
Rot. Bonds8

About 3-methyl-1-[2-[2-(2-phenylphenoxy)ethoxy]ethyl]piperidine;oxalic acid

3-methyl-1-[2-[2-(2-phenylphenoxy)ethoxy]ethyl]piperidine;oxalic acid (PubChem CID 2935041) has the molecular formula C24H31NO6 and a molecular weight of 429.51 g/mol. Its IUPAC name is 3-methyl-1-[2-[2-(2-phenylphenoxy)ethoxy]ethyl]piperidine;oxalic acid.

Molecular Properties

Compound Name3-methyl-1-[2-[2-(2-phenylphenoxy)ethoxy]ethyl]piperidine;oxalic acid
PubChem CID2935041
Molecular FormulaC24H31NO6
Molecular Weight429.51 g/mol
Exact Mass429.22
IUPAC Name3-methyl-1-[2-[2-(2-phenylphenoxy)ethoxy]ethyl]piperidine;oxalic acid
SMILESCC1CCCN(CCOCCOc2ccccc2-c2ccccc2)C1.O=C(O)C(=O)O
InChIInChI=1S/C22H29NO2.C2H2O4/c1-19-8-7-13-23(18-19)14-15-24-16-17-25-22-12-6-5-11-21(22)20-9-3-2-4-10-20;3-1(4)2(5)6/h2-6,9-12,19H,7-8,13-18H2,1H3;(H,3,4)(H,5,6)
InChIKeyBCODXIGSXSNABZ-UHFFFAOYSA-N
XLogP3.64
TPSA96.30 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.51
LogP ≤ 53.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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

Benproperine
CID 2326
Benproperine Phosphate
CID 167811
1-(2-Isopropylphenoxy)-3-morpholinopropan-2-ol
CID 4080436
S1R agonist 1
CID 1328600
1-[2-(2-Benzyl-phenoxy)-ethyl]-piperidine
CID 44396220
4-[2-(2-Benzyl-phenoxy)-ethyl]-morpholine
CID 2993172
4-{2-[2-(2-Biphenylyloxy)ethoxy]ethyl}morpholine oxalate
CID 2923755
2-Isopropylphenyl 5-(4-morpholinyl)pentyl ether
CID 1825303
1-[4-(2,5-Dimethylphenoxy)butyl]piperidine oxalate
CID 2848306
4-[2-(2,6-Dimethylphenoxy)ethyl]morpholine oxalate
CID 2848544
1-[3-(2-Isopropylphenoxy)propyl]pyrrolidine oxalate
CID 2865694
N-benzyl-2-(4-fluorophenoxy)-N-methylethanamine oxalate
CID 2934712

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-[2-[2-(2-phenylphenoxy)ethoxy]ethyl]piperidine;oxalic acid?
The IUPAC name of 3-methyl-1-[2-[2-(2-phenylphenoxy)ethoxy]ethyl]piperidine;oxalic acid (CID 2935041) is 3-methyl-1-[2-[2-(2-phenylphenoxy)ethoxy]ethyl]piperidine;oxalic acid.
What is the SMILES notation for 3-methyl-1-[2-[2-(2-phenylphenoxy)ethoxy]ethyl]piperidine;oxalic acid?
The canonical SMILES for 3-methyl-1-[2-[2-(2-phenylphenoxy)ethoxy]ethyl]piperidine;oxalic acid is CC1CCCN(CCOCCOc2ccccc2-c2ccccc2)C1.O=C(O)C(=O)O.
What is the InChIKey of 3-methyl-1-[2-[2-(2-phenylphenoxy)ethoxy]ethyl]piperidine;oxalic acid?
The InChIKey is BCODXIGSXSNABZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29NO2.C2H2O4/c1-19-8-7-13-23(18-19)14-15-24-16-17-25-22-12-6-5-11-21(22)20-9-3-2-4-10-20;3-1(4)2(5)6/h2-6,9-12,19H,7-8,13-18H2,1H3;(H,3,4)(H,5,6).
What are the key properties of 3-methyl-1-[2-[2-(2-phenylphenoxy)ethoxy]ethyl]piperidine;oxalic acid?
3-methyl-1-[2-[2-(2-phenylphenoxy)ethoxy]ethyl]piperidine;oxalic acid has a molecular weight of 429.51 g/mol, XLogP of 3.64, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-[2-[2-(2-phenylphenoxy)ethoxy]ethyl]piperidine;oxalic acid is sourced from PubChem (CID 2935041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).