1-[(2S)-2-fluoro-2-(3-methoxyphenyl)ethyl]piperazine

C13H19FN2O — CID 129493110

IUPAC1-[(2S)-2-fluoro-2-(3-methoxyphenyl)ethyl]piperazine
SMILESCOc1cccc([C@H](F)CN2CCNCC2)c1
InChIInChI=1S/C13H19FN2O/c1-17-12-4-2-3-11(9-12)13(14)10-16-7-5-15-6-8-16/h2-4,9,13,15H,5-8,10H2,1H3/t13-/m1/s1
InChIKeyDDJSIVLWPZEXLA-CYBMUJFWSA-N
MW238.31 g/mol
LogP1.61
Rot. Bonds4

About 1-[(2S)-2-fluoro-2-(3-methoxyphenyl)ethyl]piperazine

1-[(2S)-2-fluoro-2-(3-methoxyphenyl)ethyl]piperazine (PubChem CID 129493110) has the molecular formula C13H19FN2O and a molecular weight of 238.31 g/mol. Its IUPAC name is 1-[(2S)-2-fluoro-2-(3-methoxyphenyl)ethyl]piperazine.

Molecular Properties

Compound Name1-[(2S)-2-fluoro-2-(3-methoxyphenyl)ethyl]piperazine
PubChem CID129493110
Molecular FormulaC13H19FN2O
Molecular Weight238.31 g/mol
Exact Mass238.15
IUPAC Name1-[(2S)-2-fluoro-2-(3-methoxyphenyl)ethyl]piperazine
SMILESCOc1cccc([C@H](F)CN2CCNCC2)c1
InChIInChI=1S/C13H19FN2O/c1-17-12-4-2-3-11(9-12)13(14)10-16-7-5-15-6-8-16/h2-4,9,13,15H,5-8,10H2,1H3/t13-/m1/s1
InChIKeyDDJSIVLWPZEXLA-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-(3-methoxyphenyl)ethyl]piperazine;hydrochloride
CID 171181679
1-(3-methoxyphenyl)-N-methyl-3-piperazin-1-ylpropan-1-amine
CID 116954977
N-[1-(3-methoxyphenyl)-2-piperazin-1-ylethyl]-N-methylbutan-1-amine
CID 82201727
(3-methoxyphenyl)-piperazin-1-ylmethanamine
CID 116939833
1-[(2S)-2-fluoro-2-(2-methoxyphenyl)ethyl]piperazine
CID 129493112
1-[(1R)-1-(3-methoxyphenyl)-3-methylbut-3-enyl]piperazine
CID 171286732
1-[(R)-cyclopropyl-(3-methoxyphenyl)methyl]piperazine;dihydrochloride
CID 171286716
1-[(1R)-1-(3-methoxyphenyl)-2-methylbutyl]piperazine
CID 171304320
1-[2-fluoro-2-(3-methoxyphenyl)ethyl]-4-(3-pyridin-4-yl-2-pyridinyl)piperazine
CID 71061658
1-[4-(3-methoxyphenyl)butyl]piperazine
CID 94267853
1-(3-methoxyphenyl)-2-[(2S)-2-methylpiperazin-1-yl]ethanol
CID 82755808
1-[(4-bromophenyl)-(3-methoxyphenyl)methyl]piperazine
CID 3836641

Frequently Asked Questions

What is the IUPAC name of 1-[(2S)-2-fluoro-2-(3-methoxyphenyl)ethyl]piperazine?
The IUPAC name of 1-[(2S)-2-fluoro-2-(3-methoxyphenyl)ethyl]piperazine (CID 129493110) is 1-[(2S)-2-fluoro-2-(3-methoxyphenyl)ethyl]piperazine.
What is the SMILES notation for 1-[(2S)-2-fluoro-2-(3-methoxyphenyl)ethyl]piperazine?
The canonical SMILES for 1-[(2S)-2-fluoro-2-(3-methoxyphenyl)ethyl]piperazine is COc1cccc([C@H](F)CN2CCNCC2)c1.
What is the InChIKey of 1-[(2S)-2-fluoro-2-(3-methoxyphenyl)ethyl]piperazine?
The InChIKey is DDJSIVLWPZEXLA-CYBMUJFWSA-N. The full InChI is InChI=1S/C13H19FN2O/c1-17-12-4-2-3-11(9-12)13(14)10-16-7-5-15-6-8-16/h2-4,9,13,15H,5-8,10H2,1H3/t13-/m1/s1.
What are the key properties of 1-[(2S)-2-fluoro-2-(3-methoxyphenyl)ethyl]piperazine?
1-[(2S)-2-fluoro-2-(3-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-[(2S)-2-fluoro-2-(3-methoxyphenyl)ethyl]piperazine is sourced from PubChem (CID 129493110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).