1-[(1S)-1-(2,5-difluorophenyl)pent-4-enyl]piperazine;dihydrochloride

C15H22Cl2F2N2 — CID 171277062

IUPAC1-[(1S)-1-(2,5-difluorophenyl)pent-4-enyl]piperazine;dihydrochloride
SMILESC=CCC[C@@H](c1cc(F)ccc1F)N1CCNCC1.Cl.Cl
InChIInChI=1S/C15H20F2N2.2ClH/c1-2-3-4-15(19-9-7-18-8-10-19)13-11-12(16)5-6-14(13)17;;/h2,5-6,11,15,18H,1,3-4,7-10H2;2*1H/t15-;;/m0../s1
InChIKeyFOBLFQMLDGUTBA-CKUXDGONSA-N
MW339.26 g/mol
LogP3.72
Rot. Bonds5

About 1-[(1S)-1-(2,5-difluorophenyl)pent-4-enyl]piperazine;dihydrochloride

1-[(1S)-1-(2,5-difluorophenyl)pent-4-enyl]piperazine;dihydrochloride (PubChem CID 171277062) has the molecular formula C15H22Cl2F2N2 and a molecular weight of 339.26 g/mol. Its IUPAC name is 1-[(1S)-1-(2,5-difluorophenyl)pent-4-enyl]piperazine;dihydrochloride.

Molecular Properties

Compound Name1-[(1S)-1-(2,5-difluorophenyl)pent-4-enyl]piperazine;dihydrochloride
PubChem CID171277062
Molecular FormulaC15H22Cl2F2N2
Molecular Weight339.26 g/mol
Exact Mass338.11
IUPAC Name1-[(1S)-1-(2,5-difluorophenyl)pent-4-enyl]piperazine;dihydrochloride
SMILESC=CCC[C@@H](c1cc(F)ccc1F)N1CCNCC1.Cl.Cl
InChIInChI=1S/C15H20F2N2.2ClH/c1-2-3-4-15(19-9-7-18-8-10-19)13-11-12(16)5-6-14(13)17;;/h2,5-6,11,15,18H,1,3-4,7-10H2;2*1H/t15-;;/m0../s1
InChIKeyFOBLFQMLDGUTBA-CKUXDGONSA-N
XLogP3.72
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.26
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-[(1S)-1-(2,5-difluorophenyl)pent-4-enyl]piperazine;dihydrochloride 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-(5-chloro-2-fluorophenyl)pent-4-enyl]piperazine
CID 171275471
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-(4-fluoro-2-methylphenyl)pent-4-enyl]piperazine
CID 171287903
1-[(1S)-1-(2-bromo-4-fluorophenyl)pent-4-enyl]piperazine
CID 171274875
1-[(1R)-1-(2,5-difluorophenyl)-2-fluoroethyl]piperazine
CID 171182462
1-[(1S)-1-(4-fluoro-2-methoxyphenyl)pent-4-enyl]piperazine
CID 171281332
1-[(1S)-1-(2,5-difluorophenyl)propyl]piperazine;dihydrochloride
CID 171277042
(2R)-2-(2,5-difluorophenyl)-2-piperazin-1-ylethanol;hydrochloride
CID 171174342
1-[(1S)-1-(5-bromo-2-fluorophenyl)hept-6-enyl]piperazine;hydrochloride
CID 171163238
1-[(1R)-1-(2-fluoro-4,5-dimethoxyphenyl)pent-4-enyl]piperazine;dihydrochloride
CID 171295391
2-amino-3-fluoro-6-[(1S)-1-piperazin-1-ylpent-4-enyl]phenol;dihydrochloride
CID 171298512

Frequently Asked Questions

What is the IUPAC name of 1-[(1S)-1-(2,5-difluorophenyl)pent-4-enyl]piperazine;dihydrochloride?
The IUPAC name of 1-[(1S)-1-(2,5-difluorophenyl)pent-4-enyl]piperazine;dihydrochloride (CID 171277062) is 1-[(1S)-1-(2,5-difluorophenyl)pent-4-enyl]piperazine;dihydrochloride.
What is the SMILES notation for 1-[(1S)-1-(2,5-difluorophenyl)pent-4-enyl]piperazine;dihydrochloride?
The canonical SMILES for 1-[(1S)-1-(2,5-difluorophenyl)pent-4-enyl]piperazine;dihydrochloride is C=CCC[C@@H](c1cc(F)ccc1F)N1CCNCC1.Cl.Cl.
What is the InChIKey of 1-[(1S)-1-(2,5-difluorophenyl)pent-4-enyl]piperazine;dihydrochloride?
The InChIKey is FOBLFQMLDGUTBA-CKUXDGONSA-N. The full InChI is InChI=1S/C15H20F2N2.2ClH/c1-2-3-4-15(19-9-7-18-8-10-19)13-11-12(16)5-6-14(13)17;;/h2,5-6,11,15,18H,1,3-4,7-10H2;2*1H/t15-;;/m0../s1.
What are the key properties of 1-[(1S)-1-(2,5-difluorophenyl)pent-4-enyl]piperazine;dihydrochloride?
1-[(1S)-1-(2,5-difluorophenyl)pent-4-enyl]piperazine;dihydrochloride has a molecular weight of 339.26 g/mol, XLogP of 3.72, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1S)-1-(2,5-difluorophenyl)pent-4-enyl]piperazine;dihydrochloride is sourced from PubChem (CID 171277062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).