4-[2-(3,5-dichlorophenoxy)ethyl]-1-pentylpiperidine

C18H27Cl2NO — CID 54424720

IUPAC4-[2-(3,5-dichlorophenoxy)ethyl]-1-pentylpiperidine
SMILESCCCCCN1CCC(CCOc2cc(Cl)cc(Cl)c2)CC1
InChIInChI=1S/C18H27Cl2NO/c1-2-3-4-8-21-9-5-15(6-10-21)7-11-22-18-13-16(19)12-17(20)14-18/h12-15H,2-11H2,1H3
InChIKeyWDGYAWZCBZVONC-UHFFFAOYSA-N
MW344.33 g/mol
LogP5.66
Rot. Bonds8

About 4-[2-(3,5-dichlorophenoxy)ethyl]-1-pentylpiperidine

4-[2-(3,5-dichlorophenoxy)ethyl]-1-pentylpiperidine (PubChem CID 54424720) has the molecular formula C18H27Cl2NO and a molecular weight of 344.33 g/mol. Its IUPAC name is 4-[2-(3,5-dichlorophenoxy)ethyl]-1-pentylpiperidine.

Molecular Properties

Compound Name4-[2-(3,5-dichlorophenoxy)ethyl]-1-pentylpiperidine
PubChem CID54424720
Molecular FormulaC18H27Cl2NO
Molecular Weight344.33 g/mol
Exact Mass343.15
IUPAC Name4-[2-(3,5-dichlorophenoxy)ethyl]-1-pentylpiperidine
SMILESCCCCCN1CCC(CCOc2cc(Cl)cc(Cl)c2)CC1
InChIInChI=1S/C18H27Cl2NO/c1-2-3-4-8-21-9-5-15(6-10-21)7-11-22-18-13-16(19)12-17(20)14-18/h12-15H,2-11H2,1H3
InChIKeyWDGYAWZCBZVONC-UHFFFAOYSA-N
XLogP5.66
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500344.33
LogP ≤ 55.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 4-[2-(3,5-dichlorophenoxy)ethyl]-1-pentylpiperidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[2-(3,5-dichlorophenoxy)ethyl]-1-pentylpiperidine?
The IUPAC name of 4-[2-(3,5-dichlorophenoxy)ethyl]-1-pentylpiperidine (CID 54424720) is 4-[2-(3,5-dichlorophenoxy)ethyl]-1-pentylpiperidine.
What is the SMILES notation for 4-[2-(3,5-dichlorophenoxy)ethyl]-1-pentylpiperidine?
The canonical SMILES for 4-[2-(3,5-dichlorophenoxy)ethyl]-1-pentylpiperidine is CCCCCN1CCC(CCOc2cc(Cl)cc(Cl)c2)CC1.
What is the InChIKey of 4-[2-(3,5-dichlorophenoxy)ethyl]-1-pentylpiperidine?
The InChIKey is WDGYAWZCBZVONC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27Cl2NO/c1-2-3-4-8-21-9-5-15(6-10-21)7-11-22-18-13-16(19)12-17(20)14-18/h12-15H,2-11H2,1H3.
What are the key properties of 4-[2-(3,5-dichlorophenoxy)ethyl]-1-pentylpiperidine?
4-[2-(3,5-dichlorophenoxy)ethyl]-1-pentylpiperidine has a molecular weight of 344.33 g/mol, XLogP of 5.66, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(3,5-dichlorophenoxy)ethyl]-1-pentylpiperidine is sourced from PubChem (CID 54424720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).