1-[4-(2,5-dichlorophenoxy)butyl]piperidine

C15H21Cl2NO — CID 2058349

IUPAC1-[4-(2,5-dichlorophenoxy)butyl]piperidine
SMILESClc1ccc(Cl)c(OCCCCN2CCCCC2)c1
InChIInChI=1S/C15H21Cl2NO/c16-13-6-7-14(17)15(12-13)19-11-5-4-10-18-8-2-1-3-9-18/h6-7,12H,1-5,8-11H2
InChIKeyGUYIQVFKWDCCGO-UHFFFAOYSA-N
MW302.24 g/mol
LogP4.64
Rot. Bonds6

About 1-[4-(2,5-dichlorophenoxy)butyl]piperidine

1-[4-(2,5-dichlorophenoxy)butyl]piperidine (PubChem CID 2058349) has the molecular formula C15H21Cl2NO and a molecular weight of 302.24 g/mol. Its IUPAC name is 1-[4-(2,5-dichlorophenoxy)butyl]piperidine.

Molecular Properties

Compound Name1-[4-(2,5-dichlorophenoxy)butyl]piperidine
PubChem CID2058349
Molecular FormulaC15H21Cl2NO
Molecular Weight302.24 g/mol
Exact Mass301.10
IUPAC Name1-[4-(2,5-dichlorophenoxy)butyl]piperidine
SMILESClc1ccc(Cl)c(OCCCCN2CCCCC2)c1
InChIInChI=1S/C15H21Cl2NO/c16-13-6-7-14(17)15(12-13)19-11-5-4-10-18-8-2-1-3-9-18/h6-7,12H,1-5,8-11H2
InChIKeyGUYIQVFKWDCCGO-UHFFFAOYSA-N
XLogP4.64
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.24
LogP ≤ 54.64
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-[4-(2,5-dichlorophenoxy)butyl]piperidine?
The IUPAC name of 1-[4-(2,5-dichlorophenoxy)butyl]piperidine (CID 2058349) is 1-[4-(2,5-dichlorophenoxy)butyl]piperidine.
What is the SMILES notation for 1-[4-(2,5-dichlorophenoxy)butyl]piperidine?
The canonical SMILES for 1-[4-(2,5-dichlorophenoxy)butyl]piperidine is Clc1ccc(Cl)c(OCCCCN2CCCCC2)c1.
What is the InChIKey of 1-[4-(2,5-dichlorophenoxy)butyl]piperidine?
The InChIKey is GUYIQVFKWDCCGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21Cl2NO/c16-13-6-7-14(17)15(12-13)19-11-5-4-10-18-8-2-1-3-9-18/h6-7,12H,1-5,8-11H2.
What are the key properties of 1-[4-(2,5-dichlorophenoxy)butyl]piperidine?
1-[4-(2,5-dichlorophenoxy)butyl]piperidine has a molecular weight of 302.24 g/mol, XLogP of 4.64, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2,5-dichlorophenoxy)butyl]piperidine is sourced from PubChem (CID 2058349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).