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

C13H20N2O — CID 170986156

IUPAC1-[4-(2-methoxyethyl)phenyl]piperazine
SMILESCOCCc1ccc(N2CCNCC2)cc1
InChIInChI=1S/C13H20N2O/c1-16-11-6-12-2-4-13(5-3-12)15-9-7-14-8-10-15/h2-5,14H,6-11H2,1H3
InChIKeyWQDFTBDIEKCEGS-UHFFFAOYSA-N
MW220.32 g/mol
LogP1.29
Rot. Bonds4

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

1-[4-(2-methoxyethyl)phenyl]piperazine (PubChem CID 170986156) has the molecular formula C13H20N2O and a molecular weight of 220.32 g/mol. Its IUPAC name is 1-[4-(2-methoxyethyl)phenyl]piperazine.

Molecular Properties

Compound Name1-[4-(2-methoxyethyl)phenyl]piperazine
PubChem CID170986156
Molecular FormulaC13H20N2O
Molecular Weight220.32 g/mol
Exact Mass220.16
IUPAC Name1-[4-(2-methoxyethyl)phenyl]piperazine
SMILESCOCCc1ccc(N2CCNCC2)cc1
InChIInChI=1S/C13H20N2O/c1-16-11-6-12-2-4-13(5-3-12)15-9-7-14-8-10-15/h2-5,14H,6-11H2,1H3
InChIKeyWQDFTBDIEKCEGS-UHFFFAOYSA-N
XLogP1.29
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.32
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

1-[4-[2-(2-methoxyethoxy)ethyl]phenyl]pyrrolidine
CID 69086607
1-[4-(3-fluoropropyl)phenyl]piperazine
CID 59470555
1-[4-(4-ethylphenyl)phenyl]piperazine
CID 82092038
1-(4-benzylphenyl)piperazine
CID 4738749
tert-butyl formate;2-(4-piperazin-1-ylphenyl)ethanamine
CID 174927711
1-[4-[(4-iodophenyl)methyl]phenyl]piperazine
CID 4738775
1-[4-(methoxymethoxy)phenyl]-1,4-diazepane
CID 65364808
1-[4-[(4-methylsulfanylphenyl)methyl]phenyl]piperazine
CID 4739565
ethane;1-[4-(phenylmethyl)phenyl]piperazine;yttrium
CID 160851157
(4-piperazin-1-ylphenyl)methyl sulfite
CID 174510900
4-(2-methoxyethyl)-N-(2-piperazin-1-ylethyl)benzenesulfonamide
CID 119966559
N-methyl-N-[(4-piperazin-1-ylphenyl)methyl]propan-1-amine
CID 153390444

Frequently Asked Questions

What is the IUPAC name of 1-[4-(2-methoxyethyl)phenyl]piperazine?
The IUPAC name of 1-[4-(2-methoxyethyl)phenyl]piperazine (CID 170986156) is 1-[4-(2-methoxyethyl)phenyl]piperazine.
What is the SMILES notation for 1-[4-(2-methoxyethyl)phenyl]piperazine?
The canonical SMILES for 1-[4-(2-methoxyethyl)phenyl]piperazine is COCCc1ccc(N2CCNCC2)cc1.
What is the InChIKey of 1-[4-(2-methoxyethyl)phenyl]piperazine?
The InChIKey is WQDFTBDIEKCEGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O/c1-16-11-6-12-2-4-13(5-3-12)15-9-7-14-8-10-15/h2-5,14H,6-11H2,1H3.
What are the key properties of 1-[4-(2-methoxyethyl)phenyl]piperazine?
1-[4-(2-methoxyethyl)phenyl]piperazine has a molecular weight of 220.32 g/mol, XLogP of 1.29, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2-methoxyethyl)phenyl]piperazine is sourced from PubChem (CID 170986156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).