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'}

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Related Compounds

N-[2-[4-methoxy-3-[2-(4-methoxyphenyl)ethoxy]phenyl]ethyl]-N-propylpropan-1-amine;oxalic acid
CID 18986926
4-{2-[2-(2-Biphenylyloxy)ethoxy]ethyl}morpholine oxalate
CID 2923755
2-Isopropylphenyl 4-(1-piperidinyl)butyl ether
CID 1825301
1-[2-(4-Methylphenoxy)ethyl]pyrrolidine oxalate
CID 2847975
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
1-(3-Methylpiperidyl)-3-(4-phenylphenoxy)propan-2-ol
CID 16318028
4-Methylphenyl 6-(1-piperazinyl)hexyl ether
CID 23723896
Oxalic acid;1-[(3-phenylmethoxyphenyl)methyl]piperidine
CID 23724294
4-[5-(4-Allyl-2-methoxyphenoxy)pentyl]morpholine
CID 3244531
1-[4-(4-Methoxyphenoxy)butyl]-4-methylpiperidine;oxalic acid
CID 24761392

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).