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

C14H19FN2O — CID 171172236

IUPAC1-[(1R)-1-(2-fluoro-6-methoxyphenyl)prop-2-enyl]piperazine
SMILESC=C[C@H](c1c(F)cccc1OC)N1CCNCC1
InChIInChI=1S/C14H19FN2O/c1-3-12(17-9-7-16-8-10-17)14-11(15)5-4-6-13(14)18-2/h3-6,12,16H,1,7-10H2,2H3/t12-/m1/s1
InChIKeyWROQZPNRRLOTCD-GFCCVEGCSA-N
MW250.32 g/mol
LogP1.97
Rot. Bonds4

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

1-[(1R)-1-(2-fluoro-6-methoxyphenyl)prop-2-enyl]piperazine (PubChem CID 171172236) has the molecular formula C14H19FN2O and a molecular weight of 250.32 g/mol. Its IUPAC name is 1-[(1R)-1-(2-fluoro-6-methoxyphenyl)prop-2-enyl]piperazine.

Molecular Properties

Compound Name1-[(1R)-1-(2-fluoro-6-methoxyphenyl)prop-2-enyl]piperazine
PubChem CID171172236
Molecular FormulaC14H19FN2O
Molecular Weight250.32 g/mol
Exact Mass250.15
IUPAC Name1-[(1R)-1-(2-fluoro-6-methoxyphenyl)prop-2-enyl]piperazine
SMILESC=C[C@H](c1c(F)cccc1OC)N1CCNCC1
InChIInChI=1S/C14H19FN2O/c1-3-12(17-9-7-16-8-10-17)14-11(15)5-4-6-13(14)18-2/h3-6,12,16H,1,7-10H2,2H3/t12-/m1/s1
InChIKeyWROQZPNRRLOTCD-GFCCVEGCSA-N
XLogP1.97
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.32
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-[(1R)-1-(2-fluoro-6-methoxyphenyl)prop-2-enyl]piperazine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[(1S)-1-(2-fluoro-6-methoxyphenyl)prop-2-enyl]piperazine;hydrochloride
CID 171166798
3-methoxy-2-[(1S)-1-piperazin-1-ylprop-2-enyl]phenol;dihydrochloride
CID 171284121
1-[(1R)-1-(2-fluoro-6-methoxyphenyl)propyl]piperazine
CID 171172230
1-[(1R)-1-(2-fluoro-6-methoxyphenyl)pent-4-enyl]piperazine
CID 171293400
1-[(1R)-2-fluoro-1-(2-fluoro-6-methoxyphenyl)ethyl]piperazine
CID 171182666
1-[(1S)-1-[2-fluoro-6-(trifluoromethyl)phenyl]prop-2-enyl]piperazine
CID 171165437
1-[(S)-cyclopropyl-(2-fluoro-6-methoxyphenyl)methyl]piperazine;dihydrochloride
CID 171280765
1-[(1R)-1-(2,3,6-trifluorophenyl)prop-2-enyl]piperazine;hydrochloride
CID 171169964
1-[(1R)-1-(2-fluoro-6-methoxyphenyl)-3-methylbut-3-enyl]piperazine;dihydrochloride
CID 171293403
1-[(1S)-1-(2,6-difluoro-3-methylphenyl)prop-2-enyl]piperazine;hydrochloride
CID 171166634
1-[(1R)-1-(2-chloro-3,6-difluorophenyl)prop-2-enyl]piperazine
CID 171171552
1-[(1S)-4,4,4-trifluoro-1-(2-fluoro-6-methoxyphenyl)butyl]piperazine;hydrochloride
CID 171166860

Frequently Asked Questions

What is the IUPAC name of 1-[(1R)-1-(2-fluoro-6-methoxyphenyl)prop-2-enyl]piperazine?
The IUPAC name of 1-[(1R)-1-(2-fluoro-6-methoxyphenyl)prop-2-enyl]piperazine (CID 171172236) is 1-[(1R)-1-(2-fluoro-6-methoxyphenyl)prop-2-enyl]piperazine.
What is the SMILES notation for 1-[(1R)-1-(2-fluoro-6-methoxyphenyl)prop-2-enyl]piperazine?
The canonical SMILES for 1-[(1R)-1-(2-fluoro-6-methoxyphenyl)prop-2-enyl]piperazine is C=C[C@H](c1c(F)cccc1OC)N1CCNCC1.
What is the InChIKey of 1-[(1R)-1-(2-fluoro-6-methoxyphenyl)prop-2-enyl]piperazine?
The InChIKey is WROQZPNRRLOTCD-GFCCVEGCSA-N. The full InChI is InChI=1S/C14H19FN2O/c1-3-12(17-9-7-16-8-10-17)14-11(15)5-4-6-13(14)18-2/h3-6,12,16H,1,7-10H2,2H3/t12-/m1/s1.
What are the key properties of 1-[(1R)-1-(2-fluoro-6-methoxyphenyl)prop-2-enyl]piperazine?
1-[(1R)-1-(2-fluoro-6-methoxyphenyl)prop-2-enyl]piperazine has a molecular weight of 250.32 g/mol, XLogP of 1.97, 4 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)prop-2-enyl]piperazine is sourced from PubChem (CID 171172236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).