1-[3-(2,5-dimethylphenoxy)propyl]piperazine;hydrochloride

C15H25ClN2O — CID 2943585

IUPAC1-[3-(2,5-dimethylphenoxy)propyl]piperazine;hydrochloride
SMILESCc1ccc(C)c(OCCCN2CCNCC2)c1.Cl
InChIInChI=1S/C15H24N2O.ClH/c1-13-4-5-14(2)15(12-13)18-11-3-8-17-9-6-16-7-10-17;/h4-5,12,16H,3,6-11H2,1-2H3;1H
InChIKeyBEYKXJZXIRABGR-UHFFFAOYSA-N
MW284.83 g/mol
LogP2.40
Rot. Bonds5

About 1-[3-(2,5-dimethylphenoxy)propyl]piperazine;hydrochloride

1-[3-(2,5-dimethylphenoxy)propyl]piperazine;hydrochloride (PubChem CID 2943585) has the molecular formula C15H25ClN2O and a molecular weight of 284.83 g/mol. Its IUPAC name is 1-[3-(2,5-dimethylphenoxy)propyl]piperazine;hydrochloride.

Molecular Properties

Compound Name1-[3-(2,5-dimethylphenoxy)propyl]piperazine;hydrochloride
PubChem CID2943585
Molecular FormulaC15H25ClN2O
Molecular Weight284.83 g/mol
Exact Mass284.17
IUPAC Name1-[3-(2,5-dimethylphenoxy)propyl]piperazine;hydrochloride
SMILESCc1ccc(C)c(OCCCN2CCNCC2)c1.Cl
InChIInChI=1S/C15H24N2O.ClH/c1-13-4-5-14(2)15(12-13)18-11-3-8-17-9-6-16-7-10-17;/h4-5,12,16H,3,6-11H2,1-2H3;1H
InChIKeyBEYKXJZXIRABGR-UHFFFAOYSA-N
XLogP2.40
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.83
LogP ≤ 52.40
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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Frequently Asked Questions

What is the IUPAC name of 1-[3-(2,5-dimethylphenoxy)propyl]piperazine;hydrochloride?
The IUPAC name of 1-[3-(2,5-dimethylphenoxy)propyl]piperazine;hydrochloride (CID 2943585) is 1-[3-(2,5-dimethylphenoxy)propyl]piperazine;hydrochloride.
What is the SMILES notation for 1-[3-(2,5-dimethylphenoxy)propyl]piperazine;hydrochloride?
The canonical SMILES for 1-[3-(2,5-dimethylphenoxy)propyl]piperazine;hydrochloride is Cc1ccc(C)c(OCCCN2CCNCC2)c1.Cl.
What is the InChIKey of 1-[3-(2,5-dimethylphenoxy)propyl]piperazine;hydrochloride?
The InChIKey is BEYKXJZXIRABGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O.ClH/c1-13-4-5-14(2)15(12-13)18-11-3-8-17-9-6-16-7-10-17;/h4-5,12,16H,3,6-11H2,1-2H3;1H.
What are the key properties of 1-[3-(2,5-dimethylphenoxy)propyl]piperazine;hydrochloride?
1-[3-(2,5-dimethylphenoxy)propyl]piperazine;hydrochloride has a molecular weight of 284.83 g/mol, XLogP of 2.40, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(2,5-dimethylphenoxy)propyl]piperazine;hydrochloride is sourced from PubChem (CID 2943585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).