1-[3-(2,5-dichlorophenoxy)propyl]-4-methylpiperazine

C14H20Cl2N2O — CID 2267335

IUPAC1-[3-(2,5-dichlorophenoxy)propyl]-4-methylpiperazine
SMILESCN1CCN(CCCOc2cc(Cl)ccc2Cl)CC1
InChIInChI=1S/C14H20Cl2N2O/c1-17-6-8-18(9-7-17)5-2-10-19-14-11-12(15)3-4-13(14)16/h3-4,11H,2,5-10H2,1H3
InChIKeyGDHGJQOYBXSZPS-UHFFFAOYSA-N
MW303.23 g/mol
LogP3.01
Rot. Bonds5

About 1-[3-(2,5-dichlorophenoxy)propyl]-4-methylpiperazine

1-[3-(2,5-dichlorophenoxy)propyl]-4-methylpiperazine (PubChem CID 2267335) has the molecular formula C14H20Cl2N2O and a molecular weight of 303.23 g/mol. Its IUPAC name is 1-[3-(2,5-dichlorophenoxy)propyl]-4-methylpiperazine.

Molecular Properties

Compound Name1-[3-(2,5-dichlorophenoxy)propyl]-4-methylpiperazine
PubChem CID2267335
Molecular FormulaC14H20Cl2N2O
Molecular Weight303.23 g/mol
Exact Mass302.10
IUPAC Name1-[3-(2,5-dichlorophenoxy)propyl]-4-methylpiperazine
SMILESCN1CCN(CCCOc2cc(Cl)ccc2Cl)CC1
InChIInChI=1S/C14H20Cl2N2O/c1-17-6-8-18(9-7-17)5-2-10-19-14-11-12(15)3-4-13(14)16/h3-4,11H,2,5-10H2,1H3
InChIKeyGDHGJQOYBXSZPS-UHFFFAOYSA-N
XLogP3.01
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.23
LogP ≤ 53.01
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-[3-(2,5-dichlorophenoxy)propyl]-4-methylpiperazine?
The IUPAC name of 1-[3-(2,5-dichlorophenoxy)propyl]-4-methylpiperazine (CID 2267335) is 1-[3-(2,5-dichlorophenoxy)propyl]-4-methylpiperazine.
What is the SMILES notation for 1-[3-(2,5-dichlorophenoxy)propyl]-4-methylpiperazine?
The canonical SMILES for 1-[3-(2,5-dichlorophenoxy)propyl]-4-methylpiperazine is CN1CCN(CCCOc2cc(Cl)ccc2Cl)CC1.
What is the InChIKey of 1-[3-(2,5-dichlorophenoxy)propyl]-4-methylpiperazine?
The InChIKey is GDHGJQOYBXSZPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20Cl2N2O/c1-17-6-8-18(9-7-17)5-2-10-19-14-11-12(15)3-4-13(14)16/h3-4,11H,2,5-10H2,1H3.
What are the key properties of 1-[3-(2,5-dichlorophenoxy)propyl]-4-methylpiperazine?
1-[3-(2,5-dichlorophenoxy)propyl]-4-methylpiperazine has a molecular weight of 303.23 g/mol, XLogP of 3.01, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(2,5-dichlorophenoxy)propyl]-4-methylpiperazine is sourced from PubChem (CID 2267335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).