oxalic acid;1-[4-(4-propan-2-ylphenoxy)butyl]piperidine

C20H31NO5 — CID 24792262

IUPACoxalic acid;1-[4-(4-propan-2-ylphenoxy)butyl]piperidine
SMILESCC(C)c1ccc(OCCCCN2CCCCC2)cc1.O=C(O)C(=O)O
InChIInChI=1S/C18H29NO.C2H2O4/c1-16(2)17-8-10-18(11-9-17)20-15-7-6-14-19-12-4-3-5-13-19;3-1(4)2(5)6/h8-11,16H,3-7,12-15H2,1-2H3;(H,3,4)(H,5,6)
InChIKeyKUESYFMUEUZGSA-UHFFFAOYSA-N
MW365.47 g/mol
LogP3.61
Rot. Bonds7

About oxalic acid;1-[4-(4-propan-2-ylphenoxy)butyl]piperidine

oxalic acid;1-[4-(4-propan-2-ylphenoxy)butyl]piperidine (PubChem CID 24792262) has the molecular formula C20H31NO5 and a molecular weight of 365.47 g/mol. Its IUPAC name is oxalic acid;1-[4-(4-propan-2-ylphenoxy)butyl]piperidine.

Molecular Properties

Compound Nameoxalic acid;1-[4-(4-propan-2-ylphenoxy)butyl]piperidine
PubChem CID24792262
Molecular FormulaC20H31NO5
Molecular Weight365.47 g/mol
Exact Mass365.22
IUPAC Nameoxalic acid;1-[4-(4-propan-2-ylphenoxy)butyl]piperidine
SMILESCC(C)c1ccc(OCCCCN2CCCCC2)cc1.O=C(O)C(=O)O
InChIInChI=1S/C18H29NO.C2H2O4/c1-16(2)17-8-10-18(11-9-17)20-15-7-6-14-19-12-4-3-5-13-19;3-1(4)2(5)6/h8-11,16H,3-7,12-15H2,1-2H3;(H,3,4)(H,5,6)
InChIKeyKUESYFMUEUZGSA-UHFFFAOYSA-N
XLogP3.61
TPSA87.07 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.47
LogP ≤ 53.61
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 oxalic acid;1-[4-(4-propan-2-ylphenoxy)butyl]piperidine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of oxalic acid;1-[4-(4-propan-2-ylphenoxy)butyl]piperidine?
The IUPAC name of oxalic acid;1-[4-(4-propan-2-ylphenoxy)butyl]piperidine (CID 24792262) is oxalic acid;1-[4-(4-propan-2-ylphenoxy)butyl]piperidine.
What is the SMILES notation for oxalic acid;1-[4-(4-propan-2-ylphenoxy)butyl]piperidine?
The canonical SMILES for oxalic acid;1-[4-(4-propan-2-ylphenoxy)butyl]piperidine is CC(C)c1ccc(OCCCCN2CCCCC2)cc1.O=C(O)C(=O)O.
What is the InChIKey of oxalic acid;1-[4-(4-propan-2-ylphenoxy)butyl]piperidine?
The InChIKey is KUESYFMUEUZGSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29NO.C2H2O4/c1-16(2)17-8-10-18(11-9-17)20-15-7-6-14-19-12-4-3-5-13-19;3-1(4)2(5)6/h8-11,16H,3-7,12-15H2,1-2H3;(H,3,4)(H,5,6).
What are the key properties of oxalic acid;1-[4-(4-propan-2-ylphenoxy)butyl]piperidine?
oxalic acid;1-[4-(4-propan-2-ylphenoxy)butyl]piperidine has a molecular weight of 365.47 g/mol, XLogP of 3.61, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for oxalic acid;1-[4-(4-propan-2-ylphenoxy)butyl]piperidine is sourced from PubChem (CID 24792262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).