1-[(1R)-1-(2-fluoro-6-methoxyphenyl)pent-4-enyl]piperazine

C16H23FN2O — CID 171293400

IUPAC1-[(1R)-1-(2-fluoro-6-methoxyphenyl)pent-4-enyl]piperazine
SMILESC=CCC[C@H](c1c(F)cccc1OC)N1CCNCC1
InChIInChI=1S/C16H23FN2O/c1-3-4-7-14(19-11-9-18-10-12-19)16-13(17)6-5-8-15(16)20-2/h3,5-6,8,14,18H,1,4,7,9-12H2,2H3/t14-/m1/s1
InChIKeySYLNAXJFONKLLH-CQSZACIVSA-N
MW278.37 g/mol
LogP2.75
Rot. Bonds6

About 1-[(1R)-1-(2-fluoro-6-methoxyphenyl)pent-4-enyl]piperazine

1-[(1R)-1-(2-fluoro-6-methoxyphenyl)pent-4-enyl]piperazine (PubChem CID 171293400) has the molecular formula C16H23FN2O and a molecular weight of 278.37 g/mol. Its IUPAC name is 1-[(1R)-1-(2-fluoro-6-methoxyphenyl)pent-4-enyl]piperazine.

Molecular Properties

Compound Name1-[(1R)-1-(2-fluoro-6-methoxyphenyl)pent-4-enyl]piperazine
PubChem CID171293400
Molecular FormulaC16H23FN2O
Molecular Weight278.37 g/mol
Exact Mass278.18
IUPAC Name1-[(1R)-1-(2-fluoro-6-methoxyphenyl)pent-4-enyl]piperazine
SMILESC=CCC[C@H](c1c(F)cccc1OC)N1CCNCC1
InChIInChI=1S/C16H23FN2O/c1-3-4-7-14(19-11-9-18-10-12-19)16-13(17)6-5-8-15(16)20-2/h3,5-6,8,14,18H,1,4,7,9-12H2,2H3/t14-/m1/s1
InChIKeySYLNAXJFONKLLH-CQSZACIVSA-N
XLogP2.75
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.37
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

1-[(1R)-2-fluoro-1-(2-fluoro-6-methoxyphenyl)ethyl]piperazine
CID 171182666
1-[(1S)-4,4,4-trifluoro-1-(2-fluoro-6-methoxyphenyl)butyl]piperazine;hydrochloride
CID 171166860
1-[(1R)-1-(2-fluoro-6-methoxyphenyl)propyl]piperazine
CID 171172230
1-[(1R)-1-(2-methoxynaphthalen-1-yl)pent-4-enyl]piperazine;dihydrochloride
CID 171294742
1-[(1R)-1-(2-fluoro-6-methoxyphenyl)prop-2-enyl]piperazine
CID 171172236
1-[(1S)-1-(4-fluoro-2-methoxyphenyl)pent-4-enyl]piperazine
CID 171281332
1-[(1R)-1-(2-fluoro-6-methoxyphenyl)-3-methylbut-3-enyl]piperazine;dihydrochloride
CID 171293403
1-[(1S)-1-(2-fluoro-6-methoxyphenyl)prop-2-enyl]piperazine;hydrochloride
CID 171166798
1-[(1R)-1-(2,6-difluoro-3-methylphenyl)pent-4-enyl]piperazine
CID 171293030
1-[(1R)-1-(5-fluoro-2-methoxyphenyl)pent-4-enyl]piperazine;dihydrochloride
CID 171290387
1-[(1S)-1-(5-fluoro-2-methoxyphenyl)pent-4-enyl]piperazine;dihydrochloride
CID 171277762
1-[(1R)-1-(2-fluoro-4,5-dimethoxyphenyl)pent-4-enyl]piperazine;dihydrochloride
CID 171295391

Frequently Asked Questions

What is the IUPAC name of 1-[(1R)-1-(2-fluoro-6-methoxyphenyl)pent-4-enyl]piperazine?
The IUPAC name of 1-[(1R)-1-(2-fluoro-6-methoxyphenyl)pent-4-enyl]piperazine (CID 171293400) is 1-[(1R)-1-(2-fluoro-6-methoxyphenyl)pent-4-enyl]piperazine.
What is the SMILES notation for 1-[(1R)-1-(2-fluoro-6-methoxyphenyl)pent-4-enyl]piperazine?
The canonical SMILES for 1-[(1R)-1-(2-fluoro-6-methoxyphenyl)pent-4-enyl]piperazine is C=CCC[C@H](c1c(F)cccc1OC)N1CCNCC1.
What is the InChIKey of 1-[(1R)-1-(2-fluoro-6-methoxyphenyl)pent-4-enyl]piperazine?
The InChIKey is SYLNAXJFONKLLH-CQSZACIVSA-N. The full InChI is InChI=1S/C16H23FN2O/c1-3-4-7-14(19-11-9-18-10-12-19)16-13(17)6-5-8-15(16)20-2/h3,5-6,8,14,18H,1,4,7,9-12H2,2H3/t14-/m1/s1.
What are the key properties of 1-[(1R)-1-(2-fluoro-6-methoxyphenyl)pent-4-enyl]piperazine?
1-[(1R)-1-(2-fluoro-6-methoxyphenyl)pent-4-enyl]piperazine has a molecular weight of 278.37 g/mol, XLogP of 2.75, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1R)-1-(2-fluoro-6-methoxyphenyl)pent-4-enyl]piperazine is sourced from PubChem (CID 171293400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).