1-[4-(2-methoxyethoxy)phenyl]piperazine

C13H20N2O2 — CID 22024914

IUPAC1-[4-(2-methoxyethoxy)phenyl]piperazine
SMILESCOCCOc1ccc(N2CCNCC2)cc1
InChIInChI=1S/C13H20N2O2/c1-16-10-11-17-13-4-2-12(3-5-13)15-8-6-14-7-9-15/h2-5,14H,6-11H2,1H3
InChIKeyNTVPCGYHMHFTNW-UHFFFAOYSA-N
MW236.31 g/mol
LogP1.12
Rot. Bonds5

About 1-[4-(2-methoxyethoxy)phenyl]piperazine

1-[4-(2-methoxyethoxy)phenyl]piperazine (PubChem CID 22024914) has the molecular formula C13H20N2O2 and a molecular weight of 236.31 g/mol. Its IUPAC name is 1-[4-(2-methoxyethoxy)phenyl]piperazine.

Molecular Properties

Compound Name1-[4-(2-methoxyethoxy)phenyl]piperazine
PubChem CID22024914
Molecular FormulaC13H20N2O2
Molecular Weight236.31 g/mol
Exact Mass236.15
IUPAC Name1-[4-(2-methoxyethoxy)phenyl]piperazine
SMILESCOCCOc1ccc(N2CCNCC2)cc1
InChIInChI=1S/C13H20N2O2/c1-16-10-11-17-13-4-2-12(3-5-13)15-8-6-14-7-9-15/h2-5,14H,6-11H2,1H3
InChIKeyNTVPCGYHMHFTNW-UHFFFAOYSA-N
XLogP1.12
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 51.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(2-methoxyethoxy)phenyl]piperazine?
The IUPAC name of 1-[4-(2-methoxyethoxy)phenyl]piperazine (CID 22024914) is 1-[4-(2-methoxyethoxy)phenyl]piperazine.
What is the SMILES notation for 1-[4-(2-methoxyethoxy)phenyl]piperazine?
The canonical SMILES for 1-[4-(2-methoxyethoxy)phenyl]piperazine is COCCOc1ccc(N2CCNCC2)cc1.
What is the InChIKey of 1-[4-(2-methoxyethoxy)phenyl]piperazine?
The InChIKey is NTVPCGYHMHFTNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2/c1-16-10-11-17-13-4-2-12(3-5-13)15-8-6-14-7-9-15/h2-5,14H,6-11H2,1H3.
What are the key properties of 1-[4-(2-methoxyethoxy)phenyl]piperazine?
1-[4-(2-methoxyethoxy)phenyl]piperazine has a molecular weight of 236.31 g/mol, XLogP of 1.12, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2-methoxyethoxy)phenyl]piperazine is sourced from PubChem (CID 22024914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).