1-[(1R)-3-fluoro-1-(3-methoxy-4-phenylmethoxyphenyl)propyl]piperazine

C21H27FN2O2 — CID 171172841

IUPAC1-[(1R)-3-fluoro-1-(3-methoxy-4-phenylmethoxyphenyl)propyl]piperazine
SMILESCOc1cc([C@@H](CCF)N2CCNCC2)ccc1OCc1ccccc1
InChIInChI=1S/C21H27FN2O2/c1-25-21-15-18(19(9-10-22)24-13-11-23-12-14-24)7-8-20(21)26-16-17-5-3-2-4-6-17/h2-8,15,19,23H,9-14,16H2,1H3/t19-/m1/s1
InChIKeyWJADYWVFGMZPRL-LJQANCHMSA-N
MW358.46 g/mol
LogP3.58
Rot. Bonds8

About 1-[(1R)-3-fluoro-1-(3-methoxy-4-phenylmethoxyphenyl)propyl]piperazine

1-[(1R)-3-fluoro-1-(3-methoxy-4-phenylmethoxyphenyl)propyl]piperazine (PubChem CID 171172841) has the molecular formula C21H27FN2O2 and a molecular weight of 358.46 g/mol. Its IUPAC name is 1-[(1R)-3-fluoro-1-(3-methoxy-4-phenylmethoxyphenyl)propyl]piperazine.

Molecular Properties

Compound Name1-[(1R)-3-fluoro-1-(3-methoxy-4-phenylmethoxyphenyl)propyl]piperazine
PubChem CID171172841
Molecular FormulaC21H27FN2O2
Molecular Weight358.46 g/mol
Exact Mass358.21
IUPAC Name1-[(1R)-3-fluoro-1-(3-methoxy-4-phenylmethoxyphenyl)propyl]piperazine
SMILESCOc1cc([C@@H](CCF)N2CCNCC2)ccc1OCc1ccccc1
InChIInChI=1S/C21H27FN2O2/c1-25-21-15-18(19(9-10-22)24-13-11-23-12-14-24)7-8-20(21)26-16-17-5-3-2-4-6-17/h2-8,15,19,23H,9-14,16H2,1H3/t19-/m1/s1
InChIKeyWJADYWVFGMZPRL-LJQANCHMSA-N
XLogP3.58
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.46
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(1R)-1-(3-methoxy-4-phenylmethoxyphenyl)pentyl]piperazine
CID 171308355
1-[(1S)-1-(3-methoxy-4-phenylmethoxyphenyl)hexyl]piperazine
CID 171309655
(2R)-2-(3-methoxy-4-phenylmethoxyphenyl)-2-piperazin-1-ylethanol;hydrochloride
CID 171183658
1-[(1R)-4,4,4-trifluoro-1-(4-methoxy-3-phenylmethoxyphenyl)butyl]piperazine;hydrochloride
CID 171172530
1-[(1R)-1-(4,5-dimethoxy-2-phenylmethoxyphenyl)-3-fluoropropyl]piperazine
CID 171172771
(2S)-2-(4-methoxy-3-phenylmethoxyphenyl)-2-piperazin-1-ylethanol
CID 171183197
1-[(1R)-1-(3-methoxy-4-phenylmethoxyphenyl)ethyl]piperazine;dihydrochloride
CID 171295691
1-[(1R)-2,2,2-trifluoro-1-(3-methoxy-4-phenylmethoxyphenyl)ethyl]piperazine
CID 171181228
1-[(1R)-1-(3-ethoxy-4-phenylmethoxyphenyl)-4,4,4-trifluorobutyl]piperazine
CID 171172152
1-[(1R)-1-(3-ethoxy-4-phenylmethoxyphenyl)-4-methylpentyl]piperazine
CID 171311115
(3R)-3-(3-ethoxy-4-phenylmethoxyphenyl)-3-piperazin-1-ylpropan-1-ol
CID 171189208
(3S)-3-(3-ethoxy-4-phenylmethoxyphenyl)-3-piperazin-1-ylpropan-1-ol
CID 171189657

Frequently Asked Questions

What is the IUPAC name of 1-[(1R)-3-fluoro-1-(3-methoxy-4-phenylmethoxyphenyl)propyl]piperazine?
The IUPAC name of 1-[(1R)-3-fluoro-1-(3-methoxy-4-phenylmethoxyphenyl)propyl]piperazine (CID 171172841) is 1-[(1R)-3-fluoro-1-(3-methoxy-4-phenylmethoxyphenyl)propyl]piperazine.
What is the SMILES notation for 1-[(1R)-3-fluoro-1-(3-methoxy-4-phenylmethoxyphenyl)propyl]piperazine?
The canonical SMILES for 1-[(1R)-3-fluoro-1-(3-methoxy-4-phenylmethoxyphenyl)propyl]piperazine is COc1cc([C@@H](CCF)N2CCNCC2)ccc1OCc1ccccc1.
What is the InChIKey of 1-[(1R)-3-fluoro-1-(3-methoxy-4-phenylmethoxyphenyl)propyl]piperazine?
The InChIKey is WJADYWVFGMZPRL-LJQANCHMSA-N. The full InChI is InChI=1S/C21H27FN2O2/c1-25-21-15-18(19(9-10-22)24-13-11-23-12-14-24)7-8-20(21)26-16-17-5-3-2-4-6-17/h2-8,15,19,23H,9-14,16H2,1H3/t19-/m1/s1.
What are the key properties of 1-[(1R)-3-fluoro-1-(3-methoxy-4-phenylmethoxyphenyl)propyl]piperazine?
1-[(1R)-3-fluoro-1-(3-methoxy-4-phenylmethoxyphenyl)propyl]piperazine has a molecular weight of 358.46 g/mol, XLogP of 3.58, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1R)-3-fluoro-1-(3-methoxy-4-phenylmethoxyphenyl)propyl]piperazine is sourced from PubChem (CID 171172841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).