(2R)-4-[2-(3-fluoro-4-methylphenyl)ethyl]-2-methyl-1-prop-2-enoxypiperazine

C17H25FN2O — CID 178150244

IUPAC(2R)-4-[2-(3-fluoro-4-methylphenyl)ethyl]-2-methyl-1-prop-2-enoxypiperazine
SMILESC=CCON1CCN(CCc2ccc(C)c(F)c2)C[C@H]1C
InChIInChI=1S/C17H25FN2O/c1-4-11-21-20-10-9-19(13-15(20)3)8-7-16-6-5-14(2)17(18)12-16/h4-6,12,15H,1,7-11,13H2,2-3H3/t15-/m1/s1
InChIKeyDGKRDCIVLPITLD-OAHLLOKOSA-N
MW292.40 g/mol
LogP2.80
Rot. Bonds6

About (2R)-4-[2-(3-fluoro-4-methylphenyl)ethyl]-2-methyl-1-prop-2-enoxypiperazine

(2R)-4-[2-(3-fluoro-4-methylphenyl)ethyl]-2-methyl-1-prop-2-enoxypiperazine (PubChem CID 178150244) has the molecular formula C17H25FN2O and a molecular weight of 292.40 g/mol. Its IUPAC name is (2R)-4-[2-(3-fluoro-4-methylphenyl)ethyl]-2-methyl-1-prop-2-enoxypiperazine.

Molecular Properties

Compound Name(2R)-4-[2-(3-fluoro-4-methylphenyl)ethyl]-2-methyl-1-prop-2-enoxypiperazine
PubChem CID178150244
Molecular FormulaC17H25FN2O
Molecular Weight292.40 g/mol
Exact Mass292.20
IUPAC Name(2R)-4-[2-(3-fluoro-4-methylphenyl)ethyl]-2-methyl-1-prop-2-enoxypiperazine
SMILESC=CCON1CCN(CCc2ccc(C)c(F)c2)C[C@H]1C
InChIInChI=1S/C17H25FN2O/c1-4-11-21-20-10-9-19(13-15(20)3)8-7-16-6-5-14(2)17(18)12-16/h4-6,12,15H,1,7-11,13H2,2-3H3/t15-/m1/s1
InChIKeyDGKRDCIVLPITLD-OAHLLOKOSA-N
XLogP2.80
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.40
LogP ≤ 52.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (2R)-4-[2-(3-fluoro-4-methylphenyl)ethyl]-2-methyl-1-prop-2-enoxypiperazine 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-[1-(4-Fluorophenyl)propan-2-yl]-4-methylpiperazine
CID 24074742
(2S)-N-[2-(3,5-difluorophenyl)ethyl]-N-methyl-2-morpholin-4-ylpropan-1-amine
CID 28101418
1-Ethyl-4-[1-(4-fluorophenyl)propan-2-YL]piperazine
CID 45927562
(2S,6R)-4-[2-(3,4-difluorophenyl)ethyl]-1-(2-methoxyethyl)-2,6-dimethylpiperazine
CID 138001461
1-[1-(4-Fluorophenyl)-3,3-dimethylbutan-2-yl]-4-methylpiperazine
CID 58172163
1-[1-(4-Fluorophenyl)butan-2-yl]-4-methylpiperazine
CID 68403863
3-[2-fluoro-4-(1-methoxy-3,6-dihydro-2H-pyridin-4-yl)phenyl]-N,N-dimethylprop-2-yn-1-amine
CID 134394833
2-(4-Fluorophenyl)-1-methoxypiperidine
CID 150831655
4-[1-[1-[2-(4-Fluorophenyl)ethyl]piperidin-2-yl]ethyl]morpholine
CID 174390989
1-[1-[2-(4-fluorophenyl)ethyl]piperidin-2-yl]-N,N-dimethylethanamine
CID 174420782
1-[(2R)-4-[2-(3-fluoro-4-methylphenyl)ethyl]-2-methylpiperazin-1-yl]prop-2-en-1-one
CID 178149408
(2R)-N-[2-(3,5-difluorophenyl)ethyl]-N-methyl-2-morpholin-4-ylpropan-1-amine
CID 28101420

Frequently Asked Questions

What is the IUPAC name of (2R)-4-[2-(3-fluoro-4-methylphenyl)ethyl]-2-methyl-1-prop-2-enoxypiperazine?
The IUPAC name of (2R)-4-[2-(3-fluoro-4-methylphenyl)ethyl]-2-methyl-1-prop-2-enoxypiperazine (CID 178150244) is (2R)-4-[2-(3-fluoro-4-methylphenyl)ethyl]-2-methyl-1-prop-2-enoxypiperazine.
What is the SMILES notation for (2R)-4-[2-(3-fluoro-4-methylphenyl)ethyl]-2-methyl-1-prop-2-enoxypiperazine?
The canonical SMILES for (2R)-4-[2-(3-fluoro-4-methylphenyl)ethyl]-2-methyl-1-prop-2-enoxypiperazine is C=CCON1CCN(CCc2ccc(C)c(F)c2)C[C@H]1C.
What is the InChIKey of (2R)-4-[2-(3-fluoro-4-methylphenyl)ethyl]-2-methyl-1-prop-2-enoxypiperazine?
The InChIKey is DGKRDCIVLPITLD-OAHLLOKOSA-N. The full InChI is InChI=1S/C17H25FN2O/c1-4-11-21-20-10-9-19(13-15(20)3)8-7-16-6-5-14(2)17(18)12-16/h4-6,12,15H,1,7-11,13H2,2-3H3/t15-/m1/s1.
What are the key properties of (2R)-4-[2-(3-fluoro-4-methylphenyl)ethyl]-2-methyl-1-prop-2-enoxypiperazine?
(2R)-4-[2-(3-fluoro-4-methylphenyl)ethyl]-2-methyl-1-prop-2-enoxypiperazine has a molecular weight of 292.40 g/mol, XLogP of 2.80, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-4-[2-(3-fluoro-4-methylphenyl)ethyl]-2-methyl-1-prop-2-enoxypiperazine is sourced from PubChem (CID 178150244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).