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

C13H20ClFN2O — CID 171181679

IUPAC1-[(1S)-2-fluoro-1-(3-methoxyphenyl)ethyl]piperazine;hydrochloride
SMILESCOc1cccc([C@@H](CF)N2CCNCC2)c1.Cl
InChIInChI=1S/C13H19FN2O.ClH/c1-17-12-4-2-3-11(9-12)13(10-14)16-7-5-15-6-8-16;/h2-4,9,13,15H,5-8,10H2,1H3;1H/t13-;/m1./s1
InChIKeyNFZNZUWVDQIIRK-BTQNPOSSSA-N
MW274.77 g/mol
LogP2.03
Rot. Bonds4

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

1-[(1S)-2-fluoro-1-(3-methoxyphenyl)ethyl]piperazine;hydrochloride (PubChem CID 171181679) has the molecular formula C13H20ClFN2O and a molecular weight of 274.77 g/mol. Its IUPAC name is 1-[(1S)-2-fluoro-1-(3-methoxyphenyl)ethyl]piperazine;hydrochloride.

Molecular Properties

Compound Name1-[(1S)-2-fluoro-1-(3-methoxyphenyl)ethyl]piperazine;hydrochloride
PubChem CID171181679
Molecular FormulaC13H20ClFN2O
Molecular Weight274.77 g/mol
Exact Mass274.12
IUPAC Name1-[(1S)-2-fluoro-1-(3-methoxyphenyl)ethyl]piperazine;hydrochloride
SMILESCOc1cccc([C@@H](CF)N2CCNCC2)c1.Cl
InChIInChI=1S/C13H19FN2O.ClH/c1-17-12-4-2-3-11(9-12)13(10-14)16-7-5-15-6-8-16;/h2-4,9,13,15H,5-8,10H2,1H3;1H/t13-;/m1./s1
InChIKeyNFZNZUWVDQIIRK-BTQNPOSSSA-N
XLogP2.03
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.77
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(1S)-1-(3,5-dimethoxyphenyl)-2-fluoroethyl]piperazine;dihydrochloride
CID 171286292
1-[(1S)-1-[3-(difluoromethoxy)phenyl]-2-fluoroethyl]piperazine;dihydrochloride
CID 171290844
1-[(1R)-1-(3-methoxyphenyl)pentyl]piperazine;dihydrochloride
CID 171307435
1-[(1S)-1-[3-(difluoromethoxy)phenyl]-2-fluoroethyl]piperazine
CID 171181941
1-[(1R)-1-(3-methoxyphenyl)-3-methylbut-3-enyl]piperazine
CID 171286732
1-[(1S)-2-fluoro-1-(4-methoxyphenyl)ethyl]piperazine;hydrochloride
CID 171181752
1-[(1S)-2-fluoro-1-(4-methoxyphenyl)ethyl]piperazine
CID 171181751
1-[(1R)-2-fluoro-1-(3-propan-2-ylphenyl)ethyl]piperazine
CID 171182716
(3-methoxyphenyl)-piperazin-1-ylmethanamine
CID 116939833
1-[(1S)-3-fluoro-1-(3-phenoxyphenyl)propyl]piperazine;hydrochloride
CID 171163278
1-[(1R)-2-fluoro-1-phenylethyl]piperazine;dihydrochloride
CID 171282898
1-[(R)-cyclopropyl-(3-methoxyphenyl)methyl]piperazine;dihydrochloride
CID 171286716

Frequently Asked Questions

What is the IUPAC name of 1-[(1S)-2-fluoro-1-(3-methoxyphenyl)ethyl]piperazine;hydrochloride?
The IUPAC name of 1-[(1S)-2-fluoro-1-(3-methoxyphenyl)ethyl]piperazine;hydrochloride (CID 171181679) is 1-[(1S)-2-fluoro-1-(3-methoxyphenyl)ethyl]piperazine;hydrochloride.
What is the SMILES notation for 1-[(1S)-2-fluoro-1-(3-methoxyphenyl)ethyl]piperazine;hydrochloride?
The canonical SMILES for 1-[(1S)-2-fluoro-1-(3-methoxyphenyl)ethyl]piperazine;hydrochloride is COc1cccc([C@@H](CF)N2CCNCC2)c1.Cl.
What is the InChIKey of 1-[(1S)-2-fluoro-1-(3-methoxyphenyl)ethyl]piperazine;hydrochloride?
The InChIKey is NFZNZUWVDQIIRK-BTQNPOSSSA-N. The full InChI is InChI=1S/C13H19FN2O.ClH/c1-17-12-4-2-3-11(9-12)13(10-14)16-7-5-15-6-8-16;/h2-4,9,13,15H,5-8,10H2,1H3;1H/t13-;/m1./s1.
What are the key properties of 1-[(1S)-2-fluoro-1-(3-methoxyphenyl)ethyl]piperazine;hydrochloride?
1-[(1S)-2-fluoro-1-(3-methoxyphenyl)ethyl]piperazine;hydrochloride has a molecular weight of 274.77 g/mol, XLogP of 2.03, 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-(3-methoxyphenyl)ethyl]piperazine;hydrochloride is sourced from PubChem (CID 171181679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).