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

C14H20Cl2N2O — CID 2299434

IUPAC1-[4-(2,5-dichlorophenoxy)butyl]piperazine
SMILESClc1ccc(Cl)c(OCCCCN2CCNCC2)c1
InChIInChI=1S/C14H20Cl2N2O/c15-12-3-4-13(16)14(11-12)19-10-2-1-7-18-8-5-17-6-9-18/h3-4,11,17H,1-2,5-10H2
InChIKeyRAEBDRHINKPDEM-UHFFFAOYSA-N
MW303.23 g/mol
LogP3.06
Rot. Bonds6

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

1-[4-(2,5-dichlorophenoxy)butyl]piperazine (PubChem CID 2299434) has the molecular formula C14H20Cl2N2O and a molecular weight of 303.23 g/mol. Its IUPAC name is 1-[4-(2,5-dichlorophenoxy)butyl]piperazine.

Molecular Properties

Compound Name1-[4-(2,5-dichlorophenoxy)butyl]piperazine
PubChem CID2299434
Molecular FormulaC14H20Cl2N2O
Molecular Weight303.23 g/mol
Exact Mass302.10
IUPAC Name1-[4-(2,5-dichlorophenoxy)butyl]piperazine
SMILESClc1ccc(Cl)c(OCCCCN2CCNCC2)c1
InChIInChI=1S/C14H20Cl2N2O/c15-12-3-4-13(16)14(11-12)19-10-2-1-7-18-8-5-17-6-9-18/h3-4,11,17H,1-2,5-10H2
InChIKeyRAEBDRHINKPDEM-UHFFFAOYSA-N
XLogP3.06
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.23
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-[5-(4-chloro-2-methylphenoxy)pentyl]piperazine
CID 5154793
4-[3-(2,5-dichlorophenoxy)propyl]piperazine-1-carboxylic acid
CID 69460127
1-[4-(2-bromophenoxy)butyl]piperazine
CID 2944247
1-[4-(5-chloro-2-ethoxyphenyl)butyl]piperazine
CID 83933258
1-[2-(2,5-dichlorophenoxy)ethyl]-4-methylpiperidine
CID 2364331
1-[3-(2,5-dichlorophenyl)propyl]-1,4-diazepane
CID 83931363
1-[3-(2,5-dichlorophenyl)sulfanylpropyl]piperazine;dihydrochloride
CID 131880724
2,5-dichloro-N-(3-piperazin-1-ylpropyl)benzamide
CID 43443285
1-[2-(4-bromo-2,5-dichlorophenoxy)ethyl]piperazine
CID 107658281
1-[2-(2,5-dichlorophenoxy)ethyl]-4-(2-phenylethyl)piperazine
CID 112808904
(2S,6S)-4-[3-(2,5-dichlorophenoxy)propyl]-2,6-dimethylmorpholine
CID 2182592
1-[2-(4-bromo-2-chloro-5-fluorophenoxy)ethyl]piperazine
CID 114270917

Frequently Asked Questions

What is the IUPAC name of 1-[4-(2,5-dichlorophenoxy)butyl]piperazine?
The IUPAC name of 1-[4-(2,5-dichlorophenoxy)butyl]piperazine (CID 2299434) is 1-[4-(2,5-dichlorophenoxy)butyl]piperazine.
What is the SMILES notation for 1-[4-(2,5-dichlorophenoxy)butyl]piperazine?
The canonical SMILES for 1-[4-(2,5-dichlorophenoxy)butyl]piperazine is Clc1ccc(Cl)c(OCCCCN2CCNCC2)c1.
What is the InChIKey of 1-[4-(2,5-dichlorophenoxy)butyl]piperazine?
The InChIKey is RAEBDRHINKPDEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20Cl2N2O/c15-12-3-4-13(16)14(11-12)19-10-2-1-7-18-8-5-17-6-9-18/h3-4,11,17H,1-2,5-10H2.
What are the key properties of 1-[4-(2,5-dichlorophenoxy)butyl]piperazine?
1-[4-(2,5-dichlorophenoxy)butyl]piperazine has a molecular weight of 303.23 g/mol, XLogP of 3.06, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2,5-dichlorophenoxy)butyl]piperazine is sourced from PubChem (CID 2299434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).