1-[(1S)-2-fluoro-1-(4-methoxyphenyl)ethyl]piperazine

C13H19FN2O — CID 171181751

IUPAC1-[(1S)-2-fluoro-1-(4-methoxyphenyl)ethyl]piperazine
SMILESCOc1ccc([C@@H](CF)N2CCNCC2)cc1
InChIInChI=1S/C13H19FN2O/c1-17-12-4-2-11(3-5-12)13(10-14)16-8-6-15-7-9-16/h2-5,13,15H,6-10H2,1H3/t13-/m1/s1
InChIKeyIOAKTOSJZANRHU-CYBMUJFWSA-N
MW238.31 g/mol
LogP1.61
Rot. Bonds4

About 1-[(1S)-2-fluoro-1-(4-methoxyphenyl)ethyl]piperazine

1-[(1S)-2-fluoro-1-(4-methoxyphenyl)ethyl]piperazine (PubChem CID 171181751) has the molecular formula C13H19FN2O and a molecular weight of 238.31 g/mol. Its IUPAC name is 1-[(1S)-2-fluoro-1-(4-methoxyphenyl)ethyl]piperazine.

Molecular Properties

Compound Name1-[(1S)-2-fluoro-1-(4-methoxyphenyl)ethyl]piperazine
PubChem CID171181751
Molecular FormulaC13H19FN2O
Molecular Weight238.31 g/mol
Exact Mass238.15
IUPAC Name1-[(1S)-2-fluoro-1-(4-methoxyphenyl)ethyl]piperazine
SMILESCOc1ccc([C@@H](CF)N2CCNCC2)cc1
InChIInChI=1S/C13H19FN2O/c1-17-12-4-2-11(3-5-12)13(10-14)16-8-6-15-7-9-16/h2-5,13,15H,6-10H2,1H3/t13-/m1/s1
InChIKeyIOAKTOSJZANRHU-CYBMUJFWSA-N
XLogP1.61
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.31
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(1S)-2-fluoro-1-(4-methoxyphenyl)ethyl]piperazine;hydrochloride
CID 171181752
1-[1-(4-methoxyphenyl)propyl]piperazine
CID 3971378
1-[(1R)-3,3-difluoro-1-(4-methoxyphenyl)propyl]piperazine
CID 171175380
1-[(1R)-4,4,4-trifluoro-1-(4-methoxyphenyl)butyl]piperazine
CID 171168617
1-[(1R)-3,3-difluoro-1-(4-methoxyphenyl)propyl]piperazine;hydrochloride
CID 171175381
1-[(1R)-2-fluoro-1-(4-propan-2-yloxyphenyl)ethyl]piperazine
CID 171182676
(2R)-2-(4-methoxyphenyl)-2-piperazin-1-ylethanol;hydrochloride
CID 171183352
1-[(1S)-1-(3,5-dimethoxyphenyl)-2-fluoroethyl]piperazine;dihydrochloride
CID 171286292
[4-[(1S)-2-fluoro-1-piperazin-1-ylethyl]phenoxy]-trimethylsilane;dihydrochloride
CID 171291647
1-[(1S)-1-(4-methoxyphenyl)-4-methylpentyl]piperazine;dihydrochloride
CID 171309970
1-[(1R)-2-fluoro-1-[4-[(2-methylpropan-2-yl)oxy]phenyl]ethyl]piperazine;dihydrochloride
CID 171283231
1-[(1R)-2-fluoro-1-[4-(trifluoromethoxy)phenyl]ethyl]piperazine
CID 171182554

Frequently Asked Questions

What is the IUPAC name of 1-[(1S)-2-fluoro-1-(4-methoxyphenyl)ethyl]piperazine?
The IUPAC name of 1-[(1S)-2-fluoro-1-(4-methoxyphenyl)ethyl]piperazine (CID 171181751) is 1-[(1S)-2-fluoro-1-(4-methoxyphenyl)ethyl]piperazine.
What is the SMILES notation for 1-[(1S)-2-fluoro-1-(4-methoxyphenyl)ethyl]piperazine?
The canonical SMILES for 1-[(1S)-2-fluoro-1-(4-methoxyphenyl)ethyl]piperazine is COc1ccc([C@@H](CF)N2CCNCC2)cc1.
What is the InChIKey of 1-[(1S)-2-fluoro-1-(4-methoxyphenyl)ethyl]piperazine?
The InChIKey is IOAKTOSJZANRHU-CYBMUJFWSA-N. The full InChI is InChI=1S/C13H19FN2O/c1-17-12-4-2-11(3-5-12)13(10-14)16-8-6-15-7-9-16/h2-5,13,15H,6-10H2,1H3/t13-/m1/s1.
What are the key properties of 1-[(1S)-2-fluoro-1-(4-methoxyphenyl)ethyl]piperazine?
1-[(1S)-2-fluoro-1-(4-methoxyphenyl)ethyl]piperazine has a molecular weight of 238.31 g/mol, XLogP of 1.61, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1S)-2-fluoro-1-(4-methoxyphenyl)ethyl]piperazine is sourced from PubChem (CID 171181751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).