1-[6-(4-chlorophenoxy)hexyl]piperidine;oxalic acid

C19H28ClNO5 — CID 127038682

IUPAC1-[6-(4-chlorophenoxy)hexyl]piperidine;oxalic acid
SMILESClc1ccc(OCCCCCCN2CCCCC2)cc1.O=C(O)C(=O)O
InChIInChI=1S/C17H26ClNO.C2H2O4/c18-16-8-10-17(11-9-16)20-15-7-2-1-4-12-19-13-5-3-6-14-19;3-1(4)2(5)6/h8-11H,1-7,12-15H2;(H,3,4)(H,5,6)
InChIKeyLZDIZTTTWLSWDH-UHFFFAOYSA-N
MW385.89 g/mol
LogP3.92
Rot. Bonds8

About 1-[6-(4-chlorophenoxy)hexyl]piperidine;oxalic acid

1-[6-(4-chlorophenoxy)hexyl]piperidine;oxalic acid (PubChem CID 127038682) has the molecular formula C19H28ClNO5 and a molecular weight of 385.89 g/mol. Its IUPAC name is 1-[6-(4-chlorophenoxy)hexyl]piperidine;oxalic acid.

Molecular Properties

Compound Name1-[6-(4-chlorophenoxy)hexyl]piperidine;oxalic acid
PubChem CID127038682
Molecular FormulaC19H28ClNO5
Molecular Weight385.89 g/mol
Exact Mass385.17
IUPAC Name1-[6-(4-chlorophenoxy)hexyl]piperidine;oxalic acid
SMILESClc1ccc(OCCCCCCN2CCCCC2)cc1.O=C(O)C(=O)O
InChIInChI=1S/C17H26ClNO.C2H2O4/c18-16-8-10-17(11-9-16)20-15-7-2-1-4-12-19-13-5-3-6-14-19;3-1(4)2(5)6/h8-11H,1-7,12-15H2;(H,3,4)(H,5,6)
InChIKeyLZDIZTTTWLSWDH-UHFFFAOYSA-N
XLogP3.92
TPSA87.07 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.89
LogP ≤ 53.92
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

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SM 21
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1-[5-(4-Chlorophenoxy)pentyl]piperidine
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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
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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-Chlorophenoxy)butyl]piperidine;oxalic acid
CID 24761474
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CID 742653

Frequently Asked Questions

What is the IUPAC name of 1-[6-(4-chlorophenoxy)hexyl]piperidine;oxalic acid?
The IUPAC name of 1-[6-(4-chlorophenoxy)hexyl]piperidine;oxalic acid (CID 127038682) is 1-[6-(4-chlorophenoxy)hexyl]piperidine;oxalic acid.
What is the SMILES notation for 1-[6-(4-chlorophenoxy)hexyl]piperidine;oxalic acid?
The canonical SMILES for 1-[6-(4-chlorophenoxy)hexyl]piperidine;oxalic acid is Clc1ccc(OCCCCCCN2CCCCC2)cc1.O=C(O)C(=O)O.
What is the InChIKey of 1-[6-(4-chlorophenoxy)hexyl]piperidine;oxalic acid?
The InChIKey is LZDIZTTTWLSWDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26ClNO.C2H2O4/c18-16-8-10-17(11-9-16)20-15-7-2-1-4-12-19-13-5-3-6-14-19;3-1(4)2(5)6/h8-11H,1-7,12-15H2;(H,3,4)(H,5,6).
What are the key properties of 1-[6-(4-chlorophenoxy)hexyl]piperidine;oxalic acid?
1-[6-(4-chlorophenoxy)hexyl]piperidine;oxalic acid has a molecular weight of 385.89 g/mol, XLogP of 3.92, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-(4-chlorophenoxy)hexyl]piperidine;oxalic acid is sourced from PubChem (CID 127038682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).