4-methyl-1-[2-(4-phenylmethoxyphenoxy)ethyl]piperidine;oxalic acid

C23H29NO6 — CID 2923664

IUPAC4-methyl-1-[2-(4-phenylmethoxyphenoxy)ethyl]piperidine;oxalic acid
SMILESCC1CCN(CCOc2ccc(OCc3ccccc3)cc2)CC1.O=C(O)C(=O)O
InChIInChI=1S/C21H27NO2.C2H2O4/c1-18-11-13-22(14-12-18)15-16-23-20-7-9-21(10-8-20)24-17-19-5-3-2-4-6-19;3-1(4)2(5)6/h2-10,18H,11-17H2,1H3;(H,3,4)(H,5,6)
InChIKeyRCTLRQNJSBKPNI-UHFFFAOYSA-N
MW415.49 g/mol
LogP3.53
Rot. Bonds7

About 4-methyl-1-[2-(4-phenylmethoxyphenoxy)ethyl]piperidine;oxalic acid

4-methyl-1-[2-(4-phenylmethoxyphenoxy)ethyl]piperidine;oxalic acid (PubChem CID 2923664) has the molecular formula C23H29NO6 and a molecular weight of 415.49 g/mol. Its IUPAC name is 4-methyl-1-[2-(4-phenylmethoxyphenoxy)ethyl]piperidine;oxalic acid.

Molecular Properties

Compound Name4-methyl-1-[2-(4-phenylmethoxyphenoxy)ethyl]piperidine;oxalic acid
PubChem CID2923664
Molecular FormulaC23H29NO6
Molecular Weight415.49 g/mol
Exact Mass415.20
IUPAC Name4-methyl-1-[2-(4-phenylmethoxyphenoxy)ethyl]piperidine;oxalic acid
SMILESCC1CCN(CCOc2ccc(OCc3ccccc3)cc2)CC1.O=C(O)C(=O)O
InChIInChI=1S/C21H27NO2.C2H2O4/c1-18-11-13-22(14-12-18)15-16-23-20-7-9-21(10-8-20)24-17-19-5-3-2-4-6-19;3-1(4)2(5)6/h2-10,18H,11-17H2,1H3;(H,3,4)(H,5,6)
InChIKeyRCTLRQNJSBKPNI-UHFFFAOYSA-N
XLogP3.53
TPSA96.30 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.49
LogP ≤ 53.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-[2-(4-phenylmethoxyphenoxy)ethyl]piperidine;oxalic acid?
The IUPAC name of 4-methyl-1-[2-(4-phenylmethoxyphenoxy)ethyl]piperidine;oxalic acid (CID 2923664) is 4-methyl-1-[2-(4-phenylmethoxyphenoxy)ethyl]piperidine;oxalic acid.
What is the SMILES notation for 4-methyl-1-[2-(4-phenylmethoxyphenoxy)ethyl]piperidine;oxalic acid?
The canonical SMILES for 4-methyl-1-[2-(4-phenylmethoxyphenoxy)ethyl]piperidine;oxalic acid is CC1CCN(CCOc2ccc(OCc3ccccc3)cc2)CC1.O=C(O)C(=O)O.
What is the InChIKey of 4-methyl-1-[2-(4-phenylmethoxyphenoxy)ethyl]piperidine;oxalic acid?
The InChIKey is RCTLRQNJSBKPNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27NO2.C2H2O4/c1-18-11-13-22(14-12-18)15-16-23-20-7-9-21(10-8-20)24-17-19-5-3-2-4-6-19;3-1(4)2(5)6/h2-10,18H,11-17H2,1H3;(H,3,4)(H,5,6).
What are the key properties of 4-methyl-1-[2-(4-phenylmethoxyphenoxy)ethyl]piperidine;oxalic acid?
4-methyl-1-[2-(4-phenylmethoxyphenoxy)ethyl]piperidine;oxalic acid has a molecular weight of 415.49 g/mol, XLogP of 3.53, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-[2-(4-phenylmethoxyphenoxy)ethyl]piperidine;oxalic acid is sourced from PubChem (CID 2923664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).