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

C19H28BrNO5 — CID 146051025

IUPAC1-[6-(4-bromophenoxy)hexyl]piperidine;oxalic acid
SMILESBrc1ccc(OCCCCCCN2CCCCC2)cc1.O=C(O)C(=O)O
InChIInChI=1S/C17H26BrNO.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)
InChIKeyQCXXDDGFLZEQFS-UHFFFAOYSA-N
MW430.34 g/mol
LogP4.03
Rot. Bonds8

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

1-[6-(4-bromophenoxy)hexyl]piperidine;oxalic acid (PubChem CID 146051025) has the molecular formula C19H28BrNO5 and a molecular weight of 430.34 g/mol. Its IUPAC name is 1-[6-(4-bromophenoxy)hexyl]piperidine;oxalic acid.

Molecular Properties

Compound Name1-[6-(4-bromophenoxy)hexyl]piperidine;oxalic acid
PubChem CID146051025
Molecular FormulaC19H28BrNO5
Molecular Weight430.34 g/mol
Exact Mass429.12
IUPAC Name1-[6-(4-bromophenoxy)hexyl]piperidine;oxalic acid
SMILESBrc1ccc(OCCCCCCN2CCCCC2)cc1.O=C(O)C(=O)O
InChIInChI=1S/C17H26BrNO.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)
InChIKeyQCXXDDGFLZEQFS-UHFFFAOYSA-N
XLogP4.03
TPSA87.07 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.34
LogP ≤ 54.03
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

oxalic acid;1-[3-[4-[4-(3-piperidin-1-ylpropoxy)phenyl]phenoxy]propyl]piperidine
CID 11949666
4-[3-(4-bromophenoxy)propyl]morpholine;oxalic acid
CID 2843796
1-[3-(4-fluorophenoxy)propyl]azepane;oxalic acid
CID 2944017
oxalic acid;1-[4-(4-pyrrolidin-1-ylbutoxy)phenyl]ethanone
CID 2950389
1-[2-(4-bromophenoxy)ethyl]-4-[5-[4-[2-(4-bromophenoxy)ethyl]piperazin-1-yl]pentyl]piperazine
CID 56955385
1-[6-(4-phenylphenoxy)hexyl]piperidine
CID 155533744
1-[4-[4-(2-methylbutan-2-yl)phenoxy]butyl]piperidine;oxalic acid
CID 2922263
1-[4-(4-bromo-2-methylphenoxy)butyl]azepane;oxalic acid
CID 2943843
1-[4-(4-bromophenoxy)butyl]-4-methylpiperazine
CID 2267460
1-[10-(4-chlorophenoxy)decyl]piperidine
CID 70510591
1-[5-(4-chlorophenoxy)pentyl]azepane
CID 127038670
1-[5-(4-phenylphenoxy)pentyl]pyrrolidine
CID 11857856

Frequently Asked Questions

What is the IUPAC name of 1-[6-(4-bromophenoxy)hexyl]piperidine;oxalic acid?
The IUPAC name of 1-[6-(4-bromophenoxy)hexyl]piperidine;oxalic acid (CID 146051025) is 1-[6-(4-bromophenoxy)hexyl]piperidine;oxalic acid.
What is the SMILES notation for 1-[6-(4-bromophenoxy)hexyl]piperidine;oxalic acid?
The canonical SMILES for 1-[6-(4-bromophenoxy)hexyl]piperidine;oxalic acid is Brc1ccc(OCCCCCCN2CCCCC2)cc1.O=C(O)C(=O)O.
What is the InChIKey of 1-[6-(4-bromophenoxy)hexyl]piperidine;oxalic acid?
The InChIKey is QCXXDDGFLZEQFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26BrNO.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-bromophenoxy)hexyl]piperidine;oxalic acid?
1-[6-(4-bromophenoxy)hexyl]piperidine;oxalic acid has a molecular weight of 430.34 g/mol, XLogP of 4.03, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-(4-bromophenoxy)hexyl]piperidine;oxalic acid is sourced from PubChem (CID 146051025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).