1-(2,3-dichlorophenyl)-4-(4-methoxybutyl)piperazine

C15H22Cl2N2O — CID 142979816

IUPAC1-(2,3-dichlorophenyl)-4-(4-methoxybutyl)piperazine
SMILESCOCCCCN1CCN(c2cccc(Cl)c2Cl)CC1
InChIInChI=1S/C15H22Cl2N2O/c1-20-12-3-2-7-18-8-10-19(11-9-18)14-6-4-5-13(16)15(14)17/h4-6H,2-3,7-12H2,1H3
InChIKeyPJRCQRNBFFYNGC-UHFFFAOYSA-N
MW317.26 g/mol
LogP3.54
Rot. Bonds6

About 1-(2,3-dichlorophenyl)-4-(4-methoxybutyl)piperazine

1-(2,3-dichlorophenyl)-4-(4-methoxybutyl)piperazine (PubChem CID 142979816) has the molecular formula C15H22Cl2N2O and a molecular weight of 317.26 g/mol. Its IUPAC name is 1-(2,3-dichlorophenyl)-4-(4-methoxybutyl)piperazine.

Molecular Properties

Compound Name1-(2,3-dichlorophenyl)-4-(4-methoxybutyl)piperazine
PubChem CID142979816
Molecular FormulaC15H22Cl2N2O
Molecular Weight317.26 g/mol
Exact Mass316.11
IUPAC Name1-(2,3-dichlorophenyl)-4-(4-methoxybutyl)piperazine
SMILESCOCCCCN1CCN(c2cccc(Cl)c2Cl)CC1
InChIInChI=1S/C15H22Cl2N2O/c1-20-12-3-2-7-18-8-10-19(11-9-18)14-6-4-5-13(16)15(14)17/h4-6H,2-3,7-12H2,1H3
InChIKeyPJRCQRNBFFYNGC-UHFFFAOYSA-N
XLogP3.54
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.26
LogP ≤ 53.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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-(2,3-dichlorophenyl)-4-(4-methoxybutyl)piperazine?
The IUPAC name of 1-(2,3-dichlorophenyl)-4-(4-methoxybutyl)piperazine (CID 142979816) is 1-(2,3-dichlorophenyl)-4-(4-methoxybutyl)piperazine.
What is the SMILES notation for 1-(2,3-dichlorophenyl)-4-(4-methoxybutyl)piperazine?
The canonical SMILES for 1-(2,3-dichlorophenyl)-4-(4-methoxybutyl)piperazine is COCCCCN1CCN(c2cccc(Cl)c2Cl)CC1.
What is the InChIKey of 1-(2,3-dichlorophenyl)-4-(4-methoxybutyl)piperazine?
The InChIKey is PJRCQRNBFFYNGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22Cl2N2O/c1-20-12-3-2-7-18-8-10-19(11-9-18)14-6-4-5-13(16)15(14)17/h4-6H,2-3,7-12H2,1H3.
What are the key properties of 1-(2,3-dichlorophenyl)-4-(4-methoxybutyl)piperazine?
1-(2,3-dichlorophenyl)-4-(4-methoxybutyl)piperazine has a molecular weight of 317.26 g/mol, XLogP of 3.54, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dichlorophenyl)-4-(4-methoxybutyl)piperazine is sourced from PubChem (CID 142979816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).