1-[2-(4-butan-2-ylphenoxy)ethyl]piperidine;oxalic acid

C19H29NO5 — CID 2923057

IUPAC1-[2-(4-butan-2-ylphenoxy)ethyl]piperidine;oxalic acid
SMILESCCC(C)c1ccc(OCCN2CCCCC2)cc1.O=C(O)C(=O)O
InChIInChI=1S/C17H27NO.C2H2O4/c1-3-15(2)16-7-9-17(10-8-16)19-14-13-18-11-5-4-6-12-18;3-1(4)2(5)6/h7-10,15H,3-6,11-14H2,1-2H3;(H,3,4)(H,5,6)
InChIKeyUOAJRKYPIAPSRH-UHFFFAOYSA-N
MW351.44 g/mol
LogP3.22
Rot. Bonds6

About 1-[2-(4-butan-2-ylphenoxy)ethyl]piperidine;oxalic acid

1-[2-(4-butan-2-ylphenoxy)ethyl]piperidine;oxalic acid (PubChem CID 2923057) has the molecular formula C19H29NO5 and a molecular weight of 351.44 g/mol. Its IUPAC name is 1-[2-(4-butan-2-ylphenoxy)ethyl]piperidine;oxalic acid.

Molecular Properties

Compound Name1-[2-(4-butan-2-ylphenoxy)ethyl]piperidine;oxalic acid
PubChem CID2923057
Molecular FormulaC19H29NO5
Molecular Weight351.44 g/mol
Exact Mass351.20
IUPAC Name1-[2-(4-butan-2-ylphenoxy)ethyl]piperidine;oxalic acid
SMILESCCC(C)c1ccc(OCCN2CCCCC2)cc1.O=C(O)C(=O)O
InChIInChI=1S/C17H27NO.C2H2O4/c1-3-15(2)16-7-9-17(10-8-16)19-14-13-18-11-5-4-6-12-18;3-1(4)2(5)6/h7-10,15H,3-6,11-14H2,1-2H3;(H,3,4)(H,5,6)
InChIKeyUOAJRKYPIAPSRH-UHFFFAOYSA-N
XLogP3.22
TPSA87.07 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.44
LogP ≤ 53.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-[3-(4-butan-2-ylphenoxy)propyl]piperidine;methane
CID 161298234
(1S)-1-[4-(2-pyrrolidin-1-ylethoxy)phenyl]propan-1-ol
CID 78933445
ethane;4-(2-piperidin-1-ylethoxy)benzoic acid
CID 142014809
(1S)-1-[4-(2-pyrrolidin-1-ylethoxy)phenyl]propan-1-amine
CID 78937096
N-[4-[(2S)-butan-2-yl]phenyl]-2-[4-(2-phenoxyethyl)piperazin-1-yl]acetamide
CID 9259822
oxalic acid;1-[3-[4-[4-(3-piperidin-1-ylpropoxy)phenyl]phenoxy]propyl]piperidine
CID 11949666
2-hydroxy-2-[4-(2-pyrrolidin-1-ylethoxy)phenyl]acetamide
CID 139930605
1-[2-(4-propoxyphenoxy)ethyl]piperidine;hydrochloride
CID 3030633
CID 161147503
CID 161147503
4-[4-(2-piperidin-1-ylethoxy)phenyl]benzoic acid
CID 19085087
1-[2-(4-ethoxyphenoxy)ethyl]pyrrolidine
CID 803619
4-[3-[4-[(2S)-butan-2-yl]phenoxy]propyl]morpholine
CID 2299717

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-butan-2-ylphenoxy)ethyl]piperidine;oxalic acid?
The IUPAC name of 1-[2-(4-butan-2-ylphenoxy)ethyl]piperidine;oxalic acid (CID 2923057) is 1-[2-(4-butan-2-ylphenoxy)ethyl]piperidine;oxalic acid.
What is the SMILES notation for 1-[2-(4-butan-2-ylphenoxy)ethyl]piperidine;oxalic acid?
The canonical SMILES for 1-[2-(4-butan-2-ylphenoxy)ethyl]piperidine;oxalic acid is CCC(C)c1ccc(OCCN2CCCCC2)cc1.O=C(O)C(=O)O.
What is the InChIKey of 1-[2-(4-butan-2-ylphenoxy)ethyl]piperidine;oxalic acid?
The InChIKey is UOAJRKYPIAPSRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO.C2H2O4/c1-3-15(2)16-7-9-17(10-8-16)19-14-13-18-11-5-4-6-12-18;3-1(4)2(5)6/h7-10,15H,3-6,11-14H2,1-2H3;(H,3,4)(H,5,6).
What are the key properties of 1-[2-(4-butan-2-ylphenoxy)ethyl]piperidine;oxalic acid?
1-[2-(4-butan-2-ylphenoxy)ethyl]piperidine;oxalic acid has a molecular weight of 351.44 g/mol, XLogP of 3.22, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-butan-2-ylphenoxy)ethyl]piperidine;oxalic acid is sourced from PubChem (CID 2923057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).