1-[6-(4-chlorophenoxy)hexyl]piperidine

C17H26ClNO — CID 2057867

IUPAC1-[6-(4-chlorophenoxy)hexyl]piperidine
SMILESClc1ccc(OCCCCCCN2CCCCC2)cc1
InChIInChI=1S/C17H26ClNO/c18-16-8-10-17(11-9-16)20-15-7-2-1-4-12-19-13-5-3-6-14-19/h8-11H,1-7,12-15H2
InChIKeySASRGIJMOUBETC-UHFFFAOYSA-N
MW295.85 g/mol
LogP4.77
Rot. Bonds8

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

1-[6-(4-chlorophenoxy)hexyl]piperidine (PubChem CID 2057867) has the molecular formula C17H26ClNO and a molecular weight of 295.85 g/mol. Its IUPAC name is 1-[6-(4-chlorophenoxy)hexyl]piperidine.

Molecular Properties

Compound Name1-[6-(4-chlorophenoxy)hexyl]piperidine
PubChem CID2057867
Molecular FormulaC17H26ClNO
Molecular Weight295.85 g/mol
Exact Mass295.17
IUPAC Name1-[6-(4-chlorophenoxy)hexyl]piperidine
SMILESClc1ccc(OCCCCCCN2CCCCC2)cc1
InChIInChI=1S/C17H26ClNO/c18-16-8-10-17(11-9-16)20-15-7-2-1-4-12-19-13-5-3-6-14-19/h8-11H,1-7,12-15H2
InChIKeySASRGIJMOUBETC-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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Frequently Asked Questions

What is the IUPAC name of 1-[6-(4-chlorophenoxy)hexyl]piperidine?
The IUPAC name of 1-[6-(4-chlorophenoxy)hexyl]piperidine (CID 2057867) is 1-[6-(4-chlorophenoxy)hexyl]piperidine.
What is the SMILES notation for 1-[6-(4-chlorophenoxy)hexyl]piperidine?
The canonical SMILES for 1-[6-(4-chlorophenoxy)hexyl]piperidine is Clc1ccc(OCCCCCCN2CCCCC2)cc1.
What is the InChIKey of 1-[6-(4-chlorophenoxy)hexyl]piperidine?
The InChIKey is SASRGIJMOUBETC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26ClNO/c18-16-8-10-17(11-9-16)20-15-7-2-1-4-12-19-13-5-3-6-14-19/h8-11H,1-7,12-15H2.
What are the key properties of 1-[6-(4-chlorophenoxy)hexyl]piperidine?
1-[6-(4-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-(4-chlorophenoxy)hexyl]piperidine is sourced from PubChem (CID 2057867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).