1-[(1R)-2-fluoro-1-(2-fluoro-5-methoxyphenyl)ethyl]piperazine

C13H18F2N2O — CID 171182642

IUPAC1-[(1R)-2-fluoro-1-(2-fluoro-5-methoxyphenyl)ethyl]piperazine
SMILESCOc1ccc(F)c([C@H](CF)N2CCNCC2)c1
InChIInChI=1S/C13H18F2N2O/c1-18-10-2-3-12(15)11(8-10)13(9-14)17-6-4-16-5-7-17/h2-3,8,13,16H,4-7,9H2,1H3/t13-/m0/s1
InChIKeyOSCAXGSRESQUQH-ZDUSSCGKSA-N
MW256.30 g/mol
LogP1.75
Rot. Bonds4

About 1-[(1R)-2-fluoro-1-(2-fluoro-5-methoxyphenyl)ethyl]piperazine

1-[(1R)-2-fluoro-1-(2-fluoro-5-methoxyphenyl)ethyl]piperazine (PubChem CID 171182642) has the molecular formula C13H18F2N2O and a molecular weight of 256.30 g/mol. Its IUPAC name is 1-[(1R)-2-fluoro-1-(2-fluoro-5-methoxyphenyl)ethyl]piperazine.

Molecular Properties

Compound Name1-[(1R)-2-fluoro-1-(2-fluoro-5-methoxyphenyl)ethyl]piperazine
PubChem CID171182642
Molecular FormulaC13H18F2N2O
Molecular Weight256.30 g/mol
Exact Mass256.14
IUPAC Name1-[(1R)-2-fluoro-1-(2-fluoro-5-methoxyphenyl)ethyl]piperazine
SMILESCOc1ccc(F)c([C@H](CF)N2CCNCC2)c1
InChIInChI=1S/C13H18F2N2O/c1-18-10-2-3-12(15)11(8-10)13(9-14)17-6-4-16-5-7-17/h2-3,8,13,16H,4-7,9H2,1H3/t13-/m0/s1
InChIKeyOSCAXGSRESQUQH-ZDUSSCGKSA-N
XLogP1.75
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.30
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-(2-fluoro-5-methoxyphenyl)-2-piperazin-1-ylethanol;hydrochloride
CID 171174680
1-[(1R)-1-(2-fluoro-5-methoxyphenyl)pentyl]piperazine
CID 171171825
1-[(1R)-1-(2-fluoro-5-methoxyphenyl)hexyl]piperazine;dihydrochloride
CID 171308046
1-[(1R)-1-(2,4-dimethoxyphenyl)-2-fluoroethyl]piperazine;dihydrochloride
CID 171274756
1-[(1S)-1-(2-fluoro-5-methoxyphenyl)ethyl]piperazine;hydrochloride
CID 171166365
1-[(1R)-2-fluoro-1-(2-fluoro-5-methylphenyl)ethyl]piperazine
CID 171182419
1-[(1R)-1-(2,5-difluorophenyl)-2-fluoroethyl]piperazine
CID 171182462
1-[(1R)-2-fluoro-1-(2-fluoro-5-methylphenyl)ethyl]piperazine;hydrochloride
CID 171182420
1-[(1R)-2,2-difluoro-1-(2-fluoro-5-methoxyphenyl)ethyl]piperazine;dihydrochloride
CID 171280176
1-[(1R)-2-fluoro-1-(2-fluoro-5-iodophenyl)ethyl]piperazine;dihydrochloride
CID 171284070
1-[(1S)-2-fluoro-1-(4-methoxyphenyl)ethyl]piperazine
CID 171181751
1-[(1R)-1-(2-fluoro-4-methoxyphenyl)butyl]piperazine
CID 171168534

Frequently Asked Questions

What is the IUPAC name of 1-[(1R)-2-fluoro-1-(2-fluoro-5-methoxyphenyl)ethyl]piperazine?
The IUPAC name of 1-[(1R)-2-fluoro-1-(2-fluoro-5-methoxyphenyl)ethyl]piperazine (CID 171182642) is 1-[(1R)-2-fluoro-1-(2-fluoro-5-methoxyphenyl)ethyl]piperazine.
What is the SMILES notation for 1-[(1R)-2-fluoro-1-(2-fluoro-5-methoxyphenyl)ethyl]piperazine?
The canonical SMILES for 1-[(1R)-2-fluoro-1-(2-fluoro-5-methoxyphenyl)ethyl]piperazine is COc1ccc(F)c([C@H](CF)N2CCNCC2)c1.
What is the InChIKey of 1-[(1R)-2-fluoro-1-(2-fluoro-5-methoxyphenyl)ethyl]piperazine?
The InChIKey is OSCAXGSRESQUQH-ZDUSSCGKSA-N. The full InChI is InChI=1S/C13H18F2N2O/c1-18-10-2-3-12(15)11(8-10)13(9-14)17-6-4-16-5-7-17/h2-3,8,13,16H,4-7,9H2,1H3/t13-/m0/s1.
What are the key properties of 1-[(1R)-2-fluoro-1-(2-fluoro-5-methoxyphenyl)ethyl]piperazine?
1-[(1R)-2-fluoro-1-(2-fluoro-5-methoxyphenyl)ethyl]piperazine has a molecular weight of 256.30 g/mol, XLogP of 1.75, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1R)-2-fluoro-1-(2-fluoro-5-methoxyphenyl)ethyl]piperazine is sourced from PubChem (CID 171182642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).