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

C20H25FN2O2 — CID 20785333

IUPAC1-[2-fluoro-4-(2-phenylmethoxypropoxy)phenyl]piperazine
SMILESCC(COc1ccc(N2CCNCC2)c(F)c1)OCc1ccccc1
InChIInChI=1S/C20H25FN2O2/c1-16(24-15-17-5-3-2-4-6-17)14-25-18-7-8-20(19(21)13-18)23-11-9-22-10-12-23/h2-8,13,16,22H,9-12,14-15H2,1H3
InChIKeyUGEGRRBKHKNBLK-UHFFFAOYSA-N
MW344.43 g/mol
LogP3.22
Rot. Bonds7

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

1-[2-fluoro-4-(2-phenylmethoxypropoxy)phenyl]piperazine (PubChem CID 20785333) has the molecular formula C20H25FN2O2 and a molecular weight of 344.43 g/mol. Its IUPAC name is 1-[2-fluoro-4-(2-phenylmethoxypropoxy)phenyl]piperazine.

Molecular Properties

Compound Name1-[2-fluoro-4-(2-phenylmethoxypropoxy)phenyl]piperazine
PubChem CID20785333
Molecular FormulaC20H25FN2O2
Molecular Weight344.43 g/mol
Exact Mass344.19
IUPAC Name1-[2-fluoro-4-(2-phenylmethoxypropoxy)phenyl]piperazine
SMILESCC(COc1ccc(N2CCNCC2)c(F)c1)OCc1ccccc1
InChIInChI=1S/C20H25FN2O2/c1-16(24-15-17-5-3-2-4-6-17)14-25-18-7-8-20(19(21)13-18)23-11-9-22-10-12-23/h2-8,13,16,22H,9-12,14-15H2,1H3
InChIKeyUGEGRRBKHKNBLK-UHFFFAOYSA-N
XLogP3.22
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.43
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[2-fluoro-4-(2-phenylmethoxypropoxy)phenyl]piperazine?
The IUPAC name of 1-[2-fluoro-4-(2-phenylmethoxypropoxy)phenyl]piperazine (CID 20785333) is 1-[2-fluoro-4-(2-phenylmethoxypropoxy)phenyl]piperazine.
What is the SMILES notation for 1-[2-fluoro-4-(2-phenylmethoxypropoxy)phenyl]piperazine?
The canonical SMILES for 1-[2-fluoro-4-(2-phenylmethoxypropoxy)phenyl]piperazine is CC(COc1ccc(N2CCNCC2)c(F)c1)OCc1ccccc1.
What is the InChIKey of 1-[2-fluoro-4-(2-phenylmethoxypropoxy)phenyl]piperazine?
The InChIKey is UGEGRRBKHKNBLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25FN2O2/c1-16(24-15-17-5-3-2-4-6-17)14-25-18-7-8-20(19(21)13-18)23-11-9-22-10-12-23/h2-8,13,16,22H,9-12,14-15H2,1H3.
What are the key properties of 1-[2-fluoro-4-(2-phenylmethoxypropoxy)phenyl]piperazine?
1-[2-fluoro-4-(2-phenylmethoxypropoxy)phenyl]piperazine has a molecular weight of 344.43 g/mol, XLogP of 3.22, 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-phenylmethoxypropoxy)phenyl]piperazine is sourced from PubChem (CID 20785333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).