1-[2-[(4-fluorophenyl)methoxy]ethyl]-4-(2-methoxyphenyl)piperazine

C20H25FN2O2 — CID 23276578

IUPAC1-[2-[(4-fluorophenyl)methoxy]ethyl]-4-(2-methoxyphenyl)piperazine
SMILESCOc1ccccc1N1CCN(CCOCc2ccc(F)cc2)CC1
InChIInChI=1S/C20H25FN2O2/c1-24-20-5-3-2-4-19(20)23-12-10-22(11-13-23)14-15-25-16-17-6-8-18(21)9-7-17/h2-9H,10-16H2,1H3
InChIKeyBNKBVKYOPJQHNN-UHFFFAOYSA-N
MW344.43 g/mol
LogP3.17
Rot. Bonds7

About 1-[2-[(4-fluorophenyl)methoxy]ethyl]-4-(2-methoxyphenyl)piperazine

1-[2-[(4-fluorophenyl)methoxy]ethyl]-4-(2-methoxyphenyl)piperazine (PubChem CID 23276578) has the molecular formula C20H25FN2O2 and a molecular weight of 344.43 g/mol. Its IUPAC name is 1-[2-[(4-fluorophenyl)methoxy]ethyl]-4-(2-methoxyphenyl)piperazine.

Molecular Properties

Compound Name1-[2-[(4-fluorophenyl)methoxy]ethyl]-4-(2-methoxyphenyl)piperazine
PubChem CID23276578
Molecular FormulaC20H25FN2O2
Molecular Weight344.43 g/mol
Exact Mass344.19
IUPAC Name1-[2-[(4-fluorophenyl)methoxy]ethyl]-4-(2-methoxyphenyl)piperazine
SMILESCOc1ccccc1N1CCN(CCOCc2ccc(F)cc2)CC1
InChIInChI=1S/C20H25FN2O2/c1-24-20-5-3-2-4-19(20)23-12-10-22(11-13-23)14-15-25-16-17-6-8-18(21)9-7-17/h2-9H,10-16H2,1H3
InChIKeyBNKBVKYOPJQHNN-UHFFFAOYSA-N
XLogP3.17
TPSA24.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.43
LogP ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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-[2-[(4-fluorophenyl)methoxy]ethyl]-4-(2-methoxyphenyl)piperazine?
The IUPAC name of 1-[2-[(4-fluorophenyl)methoxy]ethyl]-4-(2-methoxyphenyl)piperazine (CID 23276578) is 1-[2-[(4-fluorophenyl)methoxy]ethyl]-4-(2-methoxyphenyl)piperazine.
What is the SMILES notation for 1-[2-[(4-fluorophenyl)methoxy]ethyl]-4-(2-methoxyphenyl)piperazine?
The canonical SMILES for 1-[2-[(4-fluorophenyl)methoxy]ethyl]-4-(2-methoxyphenyl)piperazine is COc1ccccc1N1CCN(CCOCc2ccc(F)cc2)CC1.
What is the InChIKey of 1-[2-[(4-fluorophenyl)methoxy]ethyl]-4-(2-methoxyphenyl)piperazine?
The InChIKey is BNKBVKYOPJQHNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25FN2O2/c1-24-20-5-3-2-4-19(20)23-12-10-22(11-13-23)14-15-25-16-17-6-8-18(21)9-7-17/h2-9H,10-16H2,1H3.
What are the key properties of 1-[2-[(4-fluorophenyl)methoxy]ethyl]-4-(2-methoxyphenyl)piperazine?
1-[2-[(4-fluorophenyl)methoxy]ethyl]-4-(2-methoxyphenyl)piperazine has a molecular weight of 344.43 g/mol, XLogP of 3.17, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(4-fluorophenyl)methoxy]ethyl]-4-(2-methoxyphenyl)piperazine is sourced from PubChem (CID 23276578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).