3-[(4-chlorophenyl)methyl]-1-(2-ethoxyethyl)piperazine

C15H23ClN2O — CID 155577127

IUPAC3-[(4-chlorophenyl)methyl]-1-(2-ethoxyethyl)piperazine
SMILESCCOCCN1CCNC(Cc2ccc(Cl)cc2)C1
InChIInChI=1S/C15H23ClN2O/c1-2-19-10-9-18-8-7-17-15(12-18)11-13-3-5-14(16)6-4-13/h3-6,15,17H,2,7-12H2,1H3
InChIKeySAGNNMJAOWHHEF-UHFFFAOYSA-N
MW282.81 g/mol
LogP2.19
Rot. Bonds6

About 3-[(4-chlorophenyl)methyl]-1-(2-ethoxyethyl)piperazine

3-[(4-chlorophenyl)methyl]-1-(2-ethoxyethyl)piperazine (PubChem CID 155577127) has the molecular formula C15H23ClN2O and a molecular weight of 282.81 g/mol. Its IUPAC name is 3-[(4-chlorophenyl)methyl]-1-(2-ethoxyethyl)piperazine.

Molecular Properties

Compound Name3-[(4-chlorophenyl)methyl]-1-(2-ethoxyethyl)piperazine
PubChem CID155577127
Molecular FormulaC15H23ClN2O
Molecular Weight282.81 g/mol
Exact Mass282.15
IUPAC Name3-[(4-chlorophenyl)methyl]-1-(2-ethoxyethyl)piperazine
SMILESCCOCCN1CCNC(Cc2ccc(Cl)cc2)C1
InChIInChI=1S/C15H23ClN2O/c1-2-19-10-9-18-8-7-17-15(12-18)11-13-3-5-14(16)6-4-13/h3-6,15,17H,2,7-12H2,1H3
InChIKeySAGNNMJAOWHHEF-UHFFFAOYSA-N
XLogP2.19
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.81
LogP ≤ 52.19
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 3-[(4-chlorophenyl)methyl]-1-(2-ethoxyethyl)piperazine?
The IUPAC name of 3-[(4-chlorophenyl)methyl]-1-(2-ethoxyethyl)piperazine (CID 155577127) is 3-[(4-chlorophenyl)methyl]-1-(2-ethoxyethyl)piperazine.
What is the SMILES notation for 3-[(4-chlorophenyl)methyl]-1-(2-ethoxyethyl)piperazine?
The canonical SMILES for 3-[(4-chlorophenyl)methyl]-1-(2-ethoxyethyl)piperazine is CCOCCN1CCNC(Cc2ccc(Cl)cc2)C1.
What is the InChIKey of 3-[(4-chlorophenyl)methyl]-1-(2-ethoxyethyl)piperazine?
The InChIKey is SAGNNMJAOWHHEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23ClN2O/c1-2-19-10-9-18-8-7-17-15(12-18)11-13-3-5-14(16)6-4-13/h3-6,15,17H,2,7-12H2,1H3.
What are the key properties of 3-[(4-chlorophenyl)methyl]-1-(2-ethoxyethyl)piperazine?
3-[(4-chlorophenyl)methyl]-1-(2-ethoxyethyl)piperazine has a molecular weight of 282.81 g/mol, XLogP of 2.19, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-chlorophenyl)methyl]-1-(2-ethoxyethyl)piperazine is sourced from PubChem (CID 155577127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).