1-[2-fluoro-4-(2-phenylmethoxyethoxy)phenyl]piperazine

C19H23FN2O2 — CID 20785332

IUPAC1-[2-fluoro-4-(2-phenylmethoxyethoxy)phenyl]piperazine
SMILESFc1cc(OCCOCc2ccccc2)ccc1N1CCNCC1
InChIInChI=1S/C19H23FN2O2/c20-18-14-17(6-7-19(18)22-10-8-21-9-11-22)24-13-12-23-15-16-4-2-1-3-5-16/h1-7,14,21H,8-13,15H2
InChIKeyKWIUMGWLPKHNNC-UHFFFAOYSA-N
MW330.40 g/mol
LogP2.83
Rot. Bonds7

About 1-[2-fluoro-4-(2-phenylmethoxyethoxy)phenyl]piperazine

1-[2-fluoro-4-(2-phenylmethoxyethoxy)phenyl]piperazine (PubChem CID 20785332) has the molecular formula C19H23FN2O2 and a molecular weight of 330.40 g/mol. Its IUPAC name is 1-[2-fluoro-4-(2-phenylmethoxyethoxy)phenyl]piperazine.

Molecular Properties

Compound Name1-[2-fluoro-4-(2-phenylmethoxyethoxy)phenyl]piperazine
PubChem CID20785332
Molecular FormulaC19H23FN2O2
Molecular Weight330.40 g/mol
Exact Mass330.17
IUPAC Name1-[2-fluoro-4-(2-phenylmethoxyethoxy)phenyl]piperazine
SMILESFc1cc(OCCOCc2ccccc2)ccc1N1CCNCC1
InChIInChI=1S/C19H23FN2O2/c20-18-14-17(6-7-19(18)22-10-8-21-9-11-22)24-13-12-23-15-16-4-2-1-3-5-16/h1-7,14,21H,8-13,15H2
InChIKeyKWIUMGWLPKHNNC-UHFFFAOYSA-N
XLogP2.83
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.40
LogP ≤ 52.83
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-[2-fluoro-4-(2-phenylmethoxyethoxy)phenyl]piperazine?
The IUPAC name of 1-[2-fluoro-4-(2-phenylmethoxyethoxy)phenyl]piperazine (CID 20785332) is 1-[2-fluoro-4-(2-phenylmethoxyethoxy)phenyl]piperazine.
What is the SMILES notation for 1-[2-fluoro-4-(2-phenylmethoxyethoxy)phenyl]piperazine?
The canonical SMILES for 1-[2-fluoro-4-(2-phenylmethoxyethoxy)phenyl]piperazine is Fc1cc(OCCOCc2ccccc2)ccc1N1CCNCC1.
What is the InChIKey of 1-[2-fluoro-4-(2-phenylmethoxyethoxy)phenyl]piperazine?
The InChIKey is KWIUMGWLPKHNNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23FN2O2/c20-18-14-17(6-7-19(18)22-10-8-21-9-11-22)24-13-12-23-15-16-4-2-1-3-5-16/h1-7,14,21H,8-13,15H2.
What are the key properties of 1-[2-fluoro-4-(2-phenylmethoxyethoxy)phenyl]piperazine?
1-[2-fluoro-4-(2-phenylmethoxyethoxy)phenyl]piperazine has a molecular weight of 330.40 g/mol, XLogP of 2.83, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-fluoro-4-(2-phenylmethoxyethoxy)phenyl]piperazine is sourced from PubChem (CID 20785332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).