1-[(1S)-1-(4-fluorophenyl)-3-methylbut-3-enyl]piperazine

C15H21FN2 — CID 171273254

IUPAC1-[(1S)-1-(4-fluorophenyl)-3-methylbut-3-enyl]piperazine
SMILESC=C(C)C[C@@H](c1ccc(F)cc1)N1CCNCC1
InChIInChI=1S/C15H21FN2/c1-12(2)11-15(18-9-7-17-8-10-18)13-3-5-14(16)6-4-13/h3-6,15,17H,1,7-11H2,2H3/t15-/m0/s1
InChIKeyXCGVKVMPXCIKGE-HNNXBMFYSA-N
MW248.34 g/mol
LogP2.74
Rot. Bonds4

About 1-[(1S)-1-(4-fluorophenyl)-3-methylbut-3-enyl]piperazine

1-[(1S)-1-(4-fluorophenyl)-3-methylbut-3-enyl]piperazine (PubChem CID 171273254) has the molecular formula C15H21FN2 and a molecular weight of 248.34 g/mol. Its IUPAC name is 1-[(1S)-1-(4-fluorophenyl)-3-methylbut-3-enyl]piperazine.

Molecular Properties

Compound Name1-[(1S)-1-(4-fluorophenyl)-3-methylbut-3-enyl]piperazine
PubChem CID171273254
Molecular FormulaC15H21FN2
Molecular Weight248.34 g/mol
Exact Mass248.17
IUPAC Name1-[(1S)-1-(4-fluorophenyl)-3-methylbut-3-enyl]piperazine
SMILESC=C(C)C[C@@H](c1ccc(F)cc1)N1CCNCC1
InChIInChI=1S/C15H21FN2/c1-12(2)11-15(18-9-7-17-8-10-18)13-3-5-14(16)6-4-13/h3-6,15,17H,1,7-11H2,2H3/t15-/m0/s1
InChIKeyXCGVKVMPXCIKGE-HNNXBMFYSA-N
XLogP2.74
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.34
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-[(1S)-1-(4-fluorophenyl)-3-methylbut-3-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-[(1R)-1-(4-fluorophenyl)-3-methylbut-3-enyl]piperazine;dihydrochloride
CID 171285883
1-[(1R)-1-(4-chlorophenyl)-3-methylbut-3-enyl]piperazine
CID 171294206
1-[(1R)-1-(4-chlorophenyl)-3-methylbut-3-enyl]piperazine;dihydrochloride
CID 171294207
1-[(1S)-3-methyl-1-phenylbut-3-enyl]piperazine;dihydrochloride
CID 171282917
1-[(1R)-1-(3-fluorophenyl)-3-methylbut-3-enyl]piperazine;dihydrochloride
CID 171285907
1-[(1S)-1-(2,4-difluorophenyl)-3-methylbut-3-enyl]piperazine;dihydrochloride
CID 171273180
1-[(1S)-1-(4-fluoro-2-methylphenyl)-3-methylbut-3-enyl]piperazine
CID 171275277
4-fluoro-2-[(1R)-3-methyl-1-piperazin-1-ylbut-3-enyl]phenol;dihydrochloride
CID 171285748
N,N-diethyl-4-[(1S)-3-methyl-1-piperazin-1-ylbut-3-enyl]aniline;dihydrochloride
CID 171279375
1-[(1R)-1-(2-bromo-5-fluorophenyl)-3-methylbut-3-enyl]piperazine
CID 171288509
1-[(1R)-3-methyl-1-(4-phenoxyphenyl)but-3-enyl]piperazine;dihydrochloride
CID 171292352
1-[(1R)-1-[3-fluoro-4-(trifluoromethyl)phenyl]-3-methylbut-3-enyl]piperazine;dihydrochloride
CID 171292740

Frequently Asked Questions

What is the IUPAC name of 1-[(1S)-1-(4-fluorophenyl)-3-methylbut-3-enyl]piperazine?
The IUPAC name of 1-[(1S)-1-(4-fluorophenyl)-3-methylbut-3-enyl]piperazine (CID 171273254) is 1-[(1S)-1-(4-fluorophenyl)-3-methylbut-3-enyl]piperazine.
What is the SMILES notation for 1-[(1S)-1-(4-fluorophenyl)-3-methylbut-3-enyl]piperazine?
The canonical SMILES for 1-[(1S)-1-(4-fluorophenyl)-3-methylbut-3-enyl]piperazine is C=C(C)C[C@@H](c1ccc(F)cc1)N1CCNCC1.
What is the InChIKey of 1-[(1S)-1-(4-fluorophenyl)-3-methylbut-3-enyl]piperazine?
The InChIKey is XCGVKVMPXCIKGE-HNNXBMFYSA-N. The full InChI is InChI=1S/C15H21FN2/c1-12(2)11-15(18-9-7-17-8-10-18)13-3-5-14(16)6-4-13/h3-6,15,17H,1,7-11H2,2H3/t15-/m0/s1.
What are the key properties of 1-[(1S)-1-(4-fluorophenyl)-3-methylbut-3-enyl]piperazine?
1-[(1S)-1-(4-fluorophenyl)-3-methylbut-3-enyl]piperazine has a molecular weight of 248.34 g/mol, XLogP of 2.74, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1S)-1-(4-fluorophenyl)-3-methylbut-3-enyl]piperazine is sourced from PubChem (CID 171273254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).