1-[1-(5-fluoro-2-phenylperoxyphenyl)ethyl]-2-methylpiperazine

C19H23FN2O2 — CID 155756307

IUPAC1-[1-(5-fluoro-2-phenylperoxyphenyl)ethyl]-2-methylpiperazine
SMILESCC1CNCCN1C(C)c1cc(F)ccc1OOc1ccccc1
InChIInChI=1S/C19H23FN2O2/c1-14-13-21-10-11-22(14)15(2)18-12-16(20)8-9-19(18)24-23-17-6-4-3-5-7-17/h3-9,12,14-15,21H,10-11,13H2,1-2H3
InChIKeyFMMVDSOHTZYDFR-UHFFFAOYSA-N
MW330.40 g/mol
LogP3.55
Rot. Bonds5

About 1-[1-(5-fluoro-2-phenylperoxyphenyl)ethyl]-2-methylpiperazine

1-[1-(5-fluoro-2-phenylperoxyphenyl)ethyl]-2-methylpiperazine (PubChem CID 155756307) has the molecular formula C19H23FN2O2 and a molecular weight of 330.40 g/mol. Its IUPAC name is 1-[1-(5-fluoro-2-phenylperoxyphenyl)ethyl]-2-methylpiperazine.

Molecular Properties

Compound Name1-[1-(5-fluoro-2-phenylperoxyphenyl)ethyl]-2-methylpiperazine
PubChem CID155756307
Molecular FormulaC19H23FN2O2
Molecular Weight330.40 g/mol
Exact Mass330.17
IUPAC Name1-[1-(5-fluoro-2-phenylperoxyphenyl)ethyl]-2-methylpiperazine
SMILESCC1CNCCN1C(C)c1cc(F)ccc1OOc1ccccc1
InChIInChI=1S/C19H23FN2O2/c1-14-13-21-10-11-22(14)15(2)18-12-16(20)8-9-19(18)24-23-17-6-4-3-5-7-17/h3-9,12,14-15,21H,10-11,13H2,1-2H3
InChIKeyFMMVDSOHTZYDFR-UHFFFAOYSA-N
XLogP3.55
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.40
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}

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Related Compounds

CP-100263
CID 9796216
CP-99994
CID 5311057
2-{[(1-Phenylethyl)amino]methyl}phenol
CID 3669487
1-(2-(2-Methoxyphenyl)-1-phenylethyl)piperazine
CID 44414722
1-(2-(2-(Difluoromethoxy)phenyl)-1-phenylethyl)piperazine (enantiomeric mix)
CID 46890395
1-(1-(2-Fluorophenyl)-2-(2-(trifluoromethoxy)phenyl)ethyl)piperazine (enantiomeric mix)
CID 46890492
1-(1-(4-Fluorophenyl)-2-(2-(trifluoromethoxy)phenyl)ethyl)piperazine (enantiomeric mix)
CID 46890532
(2S)-N-[(2-methoxyphenyl)methyl]-2-phenylpiperidin-3-amine
CID 105083
(2-Difluoromethoxy-benzyl)-((2S,3S)-2-phenyl-piperidin-3-yl)-amine
CID 9945487
((2S,3S)-2-Phenyl-piperidin-3-yl)-(2-trifluoromethoxy-benzyl)-amine
CID 9968267
(2S,3S)-N-[(5-fluoro-2-methoxyphenyl)methyl]-2-phenylpiperidin-3-amine
CID 10495476
(2S,3S)-3-(2-Methoxy-5-(2,2,2-trifluoroethyl)benzyl)amino-2-phenylpiperidine
CID 15549737

Frequently Asked Questions

What is the IUPAC name of 1-[1-(5-fluoro-2-phenylperoxyphenyl)ethyl]-2-methylpiperazine?
The IUPAC name of 1-[1-(5-fluoro-2-phenylperoxyphenyl)ethyl]-2-methylpiperazine (CID 155756307) is 1-[1-(5-fluoro-2-phenylperoxyphenyl)ethyl]-2-methylpiperazine.
What is the SMILES notation for 1-[1-(5-fluoro-2-phenylperoxyphenyl)ethyl]-2-methylpiperazine?
The canonical SMILES for 1-[1-(5-fluoro-2-phenylperoxyphenyl)ethyl]-2-methylpiperazine is CC1CNCCN1C(C)c1cc(F)ccc1OOc1ccccc1.
What is the InChIKey of 1-[1-(5-fluoro-2-phenylperoxyphenyl)ethyl]-2-methylpiperazine?
The InChIKey is FMMVDSOHTZYDFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23FN2O2/c1-14-13-21-10-11-22(14)15(2)18-12-16(20)8-9-19(18)24-23-17-6-4-3-5-7-17/h3-9,12,14-15,21H,10-11,13H2,1-2H3.
What are the key properties of 1-[1-(5-fluoro-2-phenylperoxyphenyl)ethyl]-2-methylpiperazine?
1-[1-(5-fluoro-2-phenylperoxyphenyl)ethyl]-2-methylpiperazine has a molecular weight of 330.40 g/mol, XLogP of 3.55, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(5-fluoro-2-phenylperoxyphenyl)ethyl]-2-methylpiperazine is sourced from PubChem (CID 155756307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).