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

C17H24ClNO5 — CID 24761474

IUPAC1-[4-(4-chlorophenoxy)butyl]piperidine;oxalic acid
SMILESClc1ccc(OCCCCN2CCCCC2)cc1.O=C(O)C(=O)O
InChIInChI=1S/C15H22ClNO.C2H2O4/c16-14-6-8-15(9-7-14)18-13-5-4-12-17-10-2-1-3-11-17;3-1(4)2(5)6/h6-9H,1-5,10-13H2;(H,3,4)(H,5,6)
InChIKeyXUCCZGQVYOFMEA-UHFFFAOYSA-N
MW357.83 g/mol
LogP3.14
Rot. Bonds6

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

1-[4-(4-chlorophenoxy)butyl]piperidine;oxalic acid (PubChem CID 24761474) has the molecular formula C17H24ClNO5 and a molecular weight of 357.83 g/mol. Its IUPAC name is 1-[4-(4-chlorophenoxy)butyl]piperidine;oxalic acid.

Molecular Properties

Compound Name1-[4-(4-chlorophenoxy)butyl]piperidine;oxalic acid
PubChem CID24761474
Molecular FormulaC17H24ClNO5
Molecular Weight357.83 g/mol
Exact Mass357.13
IUPAC Name1-[4-(4-chlorophenoxy)butyl]piperidine;oxalic acid
SMILESClc1ccc(OCCCCN2CCCCC2)cc1.O=C(O)C(=O)O
InChIInChI=1S/C15H22ClNO.C2H2O4/c16-14-6-8-15(9-7-14)18-13-5-4-12-17-10-2-1-3-11-17;3-1(4)2(5)6/h6-9H,1-5,10-13H2;(H,3,4)(H,5,6)
InChIKeyXUCCZGQVYOFMEA-UHFFFAOYSA-N
XLogP3.14
TPSA87.07 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.83
LogP ≤ 53.14
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

Lifibrate
CID 31060
1-[5-(4-Chlorophenoxy)pentyl]piperidine
CID 2843471
1-[4-(3-Chlorophenoxy)butyl]piperidine
CID 2057691
1-[4-(2-Chlorophenoxy)butyl]piperazine oxalate
CID 2924265
(4-Chloro-phenoxy)-acetic acid 1-methyl-2-piperidin-1-yl-ethyl ester
CID 2928132
[4-(4-Chlorophenoxy)-2-butyn-1-yl]isopropylamine oxalate
CID 2961051
1-[4-(4-Chlorophenoxy)-2-butyn-1-yl]pyrrolidine oxalate
CID 2961328
4-[4-(4-Chlorophenoxy)-2-butyn-1-yl]morpholine oxalate
CID 2961620
1-[4-(4-Methoxyphenoxy)butyl]-4-methylpiperidine;oxalic acid
CID 24761392
1-[(4-Chlorophenoxy)acetyl]piperidine
CID 742653
2-(4-Chloro-phenoxy)-1-(4-cyclopentyl-piperazin-1-yl)-ethanone
CID 17369419
N-[2-(5-chloro-2-phenylmethoxyphenyl)ethyl]-N-propylpropan-1-amine;oxalic acid
CID 18986840

Frequently Asked Questions

What is the IUPAC name of 1-[4-(4-chlorophenoxy)butyl]piperidine;oxalic acid?
The IUPAC name of 1-[4-(4-chlorophenoxy)butyl]piperidine;oxalic acid (CID 24761474) is 1-[4-(4-chlorophenoxy)butyl]piperidine;oxalic acid.
What is the SMILES notation for 1-[4-(4-chlorophenoxy)butyl]piperidine;oxalic acid?
The canonical SMILES for 1-[4-(4-chlorophenoxy)butyl]piperidine;oxalic acid is Clc1ccc(OCCCCN2CCCCC2)cc1.O=C(O)C(=O)O.
What is the InChIKey of 1-[4-(4-chlorophenoxy)butyl]piperidine;oxalic acid?
The InChIKey is XUCCZGQVYOFMEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22ClNO.C2H2O4/c16-14-6-8-15(9-7-14)18-13-5-4-12-17-10-2-1-3-11-17;3-1(4)2(5)6/h6-9H,1-5,10-13H2;(H,3,4)(H,5,6).
What are the key properties of 1-[4-(4-chlorophenoxy)butyl]piperidine;oxalic acid?
1-[4-(4-chlorophenoxy)butyl]piperidine;oxalic acid has a molecular weight of 357.83 g/mol, XLogP of 3.14, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4-chlorophenoxy)butyl]piperidine;oxalic acid is sourced from PubChem (CID 24761474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).