1-[4-(3-ethylphenoxy)butyl]piperidine;oxalic acid

C19H29NO5 — CID 2922693

IUPAC1-[4-(3-ethylphenoxy)butyl]piperidine;oxalic acid
SMILESCCc1cccc(OCCCCN2CCCCC2)c1.O=C(O)C(=O)O
InChIInChI=1S/C17H27NO.C2H2O4/c1-2-16-9-8-10-17(15-16)19-14-7-6-13-18-11-4-3-5-12-18;3-1(4)2(5)6/h8-10,15H,2-7,11-14H2,1H3;(H,3,4)(H,5,6)
InChIKeyFMAPWXIUOUIMMZ-UHFFFAOYSA-N
MW351.44 g/mol
LogP3.05
Rot. Bonds7

About 1-[4-(3-ethylphenoxy)butyl]piperidine;oxalic acid

1-[4-(3-ethylphenoxy)butyl]piperidine;oxalic acid (PubChem CID 2922693) has the molecular formula C19H29NO5 and a molecular weight of 351.44 g/mol. Its IUPAC name is 1-[4-(3-ethylphenoxy)butyl]piperidine;oxalic acid.

Molecular Properties

Compound Name1-[4-(3-ethylphenoxy)butyl]piperidine;oxalic acid
PubChem CID2922693
Molecular FormulaC19H29NO5
Molecular Weight351.44 g/mol
Exact Mass351.20
IUPAC Name1-[4-(3-ethylphenoxy)butyl]piperidine;oxalic acid
SMILESCCc1cccc(OCCCCN2CCCCC2)c1.O=C(O)C(=O)O
InChIInChI=1S/C17H27NO.C2H2O4/c1-2-16-9-8-10-17(15-16)19-14-7-6-13-18-11-4-3-5-12-18;3-1(4)2(5)6/h8-10,15H,2-7,11-14H2,1H3;(H,3,4)(H,5,6)
InChIKeyFMAPWXIUOUIMMZ-UHFFFAOYSA-N
XLogP3.05
TPSA87.07 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.44
LogP ≤ 53.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 1-[4-(3-ethylphenoxy)butyl]piperidine;oxalic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[3-(3-methoxyphenoxy)propyl]azepane;oxalic acid
CID 2944095
oxalic acid;1-[5-(3-phenylphenoxy)pentyl]azepane
CID 155512264
oxalic acid;3-(4-piperidin-1-ylbutoxy)benzaldehyde
CID 2949977
[1-[4-(3-ethylphenoxy)butyl]piperidin-4-yl]methanol
CID 142203164
4-[3-(3-ethylphenoxy)propyl]-2,6-dimethylmorpholine;oxalic acid
CID 2935433
N-ethyl-N-[3-[3-(3-piperidin-1-ylpropoxy)phenyl]propyl]acetamide
CID 142864877
3-[2-(azocan-1-yl)ethoxy]benzoic acid
CID 43532593
1-[6-(3-methoxyphenoxy)hexyl]piperidine
CID 2232457
1-[2-(3-bromophenoxy)ethyl]piperidine;oxalic acid
CID 2924023
1-[6-(3-methylphenoxy)hexyl]pyrrolidine
CID 2057335
1-[4-(3-bromophenoxy)butyl]piperidine
CID 2297384
4-[2-[2-(3-ethylphenoxy)ethoxy]ethyl]-2,6-dimethylmorpholine;oxalic acid
CID 2934633

Frequently Asked Questions

What is the IUPAC name of 1-[4-(3-ethylphenoxy)butyl]piperidine;oxalic acid?
The IUPAC name of 1-[4-(3-ethylphenoxy)butyl]piperidine;oxalic acid (CID 2922693) is 1-[4-(3-ethylphenoxy)butyl]piperidine;oxalic acid.
What is the SMILES notation for 1-[4-(3-ethylphenoxy)butyl]piperidine;oxalic acid?
The canonical SMILES for 1-[4-(3-ethylphenoxy)butyl]piperidine;oxalic acid is CCc1cccc(OCCCCN2CCCCC2)c1.O=C(O)C(=O)O.
What is the InChIKey of 1-[4-(3-ethylphenoxy)butyl]piperidine;oxalic acid?
The InChIKey is FMAPWXIUOUIMMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO.C2H2O4/c1-2-16-9-8-10-17(15-16)19-14-7-6-13-18-11-4-3-5-12-18;3-1(4)2(5)6/h8-10,15H,2-7,11-14H2,1H3;(H,3,4)(H,5,6).
What are the key properties of 1-[4-(3-ethylphenoxy)butyl]piperidine;oxalic acid?
1-[4-(3-ethylphenoxy)butyl]piperidine;oxalic acid has a molecular weight of 351.44 g/mol, XLogP of 3.05, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(3-ethylphenoxy)butyl]piperidine;oxalic acid is sourced from PubChem (CID 2922693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).