1-[6-(3-chlorophenoxy)hexyl]piperidine

C17H26ClNO — CID 2057716

IUPAC1-[6-(3-chlorophenoxy)hexyl]piperidine
SMILESClc1cccc(OCCCCCCN2CCCCC2)c1
InChIInChI=1S/C17H26ClNO/c18-16-9-8-10-17(15-16)20-14-7-2-1-4-11-19-12-5-3-6-13-19/h8-10,15H,1-7,11-14H2
InChIKeyLXKXCCJFOWBMCZ-UHFFFAOYSA-N
MW295.85 g/mol
LogP4.77
Rot. Bonds8

About 1-[6-(3-chlorophenoxy)hexyl]piperidine

1-[6-(3-chlorophenoxy)hexyl]piperidine (PubChem CID 2057716) has the molecular formula C17H26ClNO and a molecular weight of 295.85 g/mol. Its IUPAC name is 1-[6-(3-chlorophenoxy)hexyl]piperidine.

Molecular Properties

Compound Name1-[6-(3-chlorophenoxy)hexyl]piperidine
PubChem CID2057716
Molecular FormulaC17H26ClNO
Molecular Weight295.85 g/mol
Exact Mass295.17
IUPAC Name1-[6-(3-chlorophenoxy)hexyl]piperidine
SMILESClc1cccc(OCCCCCCN2CCCCC2)c1
InChIInChI=1S/C17H26ClNO/c18-16-9-8-10-17(15-16)20-14-7-2-1-4-11-19-12-5-3-6-13-19/h8-10,15H,1-7,11-14H2
InChIKeyLXKXCCJFOWBMCZ-UHFFFAOYSA-N
XLogP4.77
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.85
LogP ≤ 54.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-[6-(3-chlorophenoxy)hexyl]azepane
CID 127038677
1-[2-[2-(3-chlorophenoxy)ethoxy]ethyl]piperidine
CID 2245896
1-[6-(3-methoxyphenoxy)hexyl]piperidine
CID 2232457
1-[10-(4-chlorophenoxy)decyl]piperidine
CID 70510591
1-[5-(4-chlorophenoxy)pentyl]azepane
CID 127038670
1-[6-(3-methylphenoxy)hexyl]pyrrolidine
CID 2057335
1-[4-(3-bromophenoxy)butyl]piperidine
CID 2297384
oxalic acid;1-[5-(3-phenylphenoxy)pentyl]azepane
CID 155512264
1-[3-(3-chlorophenoxy)propyl]piperidin-3-ol
CID 110908224
1-chloro-3-(5-chloropentoxy)benzene
CID 43348402
(2S,6S)-4-[4-(3-chlorophenoxy)butyl]-2,6-dimethylmorpholine
CID 2182958
1-[3-(3-chlorophenoxy)-3-phenylpropyl]piperidine
CID 71384087

Frequently Asked Questions

What is the IUPAC name of 1-[6-(3-chlorophenoxy)hexyl]piperidine?
The IUPAC name of 1-[6-(3-chlorophenoxy)hexyl]piperidine (CID 2057716) is 1-[6-(3-chlorophenoxy)hexyl]piperidine.
What is the SMILES notation for 1-[6-(3-chlorophenoxy)hexyl]piperidine?
The canonical SMILES for 1-[6-(3-chlorophenoxy)hexyl]piperidine is Clc1cccc(OCCCCCCN2CCCCC2)c1.
What is the InChIKey of 1-[6-(3-chlorophenoxy)hexyl]piperidine?
The InChIKey is LXKXCCJFOWBMCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26ClNO/c18-16-9-8-10-17(15-16)20-14-7-2-1-4-11-19-12-5-3-6-13-19/h8-10,15H,1-7,11-14H2.
What are the key properties of 1-[6-(3-chlorophenoxy)hexyl]piperidine?
1-[6-(3-chlorophenoxy)hexyl]piperidine has a molecular weight of 295.85 g/mol, XLogP of 4.77, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-(3-chlorophenoxy)hexyl]piperidine is sourced from PubChem (CID 2057716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).