1-[(1S)-1-(5-chloro-2-fluorophenyl)pent-4-enyl]piperazine

C15H20ClFN2 — CID 171275471

IUPAC1-[(1S)-1-(5-chloro-2-fluorophenyl)pent-4-enyl]piperazine
SMILESC=CCC[C@@H](c1cc(Cl)ccc1F)N1CCNCC1
InChIInChI=1S/C15H20ClFN2/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/t15-/m0/s1
InChIKeyAAJPHUVTQKGMDB-HNNXBMFYSA-N
MW282.79 g/mol
LogP3.39
Rot. Bonds5

About 1-[(1S)-1-(5-chloro-2-fluorophenyl)pent-4-enyl]piperazine

1-[(1S)-1-(5-chloro-2-fluorophenyl)pent-4-enyl]piperazine (PubChem CID 171275471) has the molecular formula C15H20ClFN2 and a molecular weight of 282.79 g/mol. Its IUPAC name is 1-[(1S)-1-(5-chloro-2-fluorophenyl)pent-4-enyl]piperazine.

Molecular Properties

Compound Name1-[(1S)-1-(5-chloro-2-fluorophenyl)pent-4-enyl]piperazine
PubChem CID171275471
Molecular FormulaC15H20ClFN2
Molecular Weight282.79 g/mol
Exact Mass282.13
IUPAC Name1-[(1S)-1-(5-chloro-2-fluorophenyl)pent-4-enyl]piperazine
SMILESC=CCC[C@@H](c1cc(Cl)ccc1F)N1CCNCC1
InChIInChI=1S/C15H20ClFN2/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/t15-/m0/s1
InChIKeyAAJPHUVTQKGMDB-HNNXBMFYSA-N
XLogP3.39
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.79
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-[(1S)-1-(5-chloro-2-fluorophenyl)pent-4-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-(2,5-difluorophenyl)pent-4-enyl]piperazine;dihydrochloride
CID 171277062
1-[(1S)-1-(5-chloro-2-methoxyphenyl)pent-4-enyl]piperazine;dihydrochloride
CID 171283386
(4S)-4-(5-chloro-2-fluorophenyl)-4-piperazin-1-ylbutan-1-ol
CID 171174266
1-[(1R)-1-(2,3-dichloro-6-fluorophenyl)pent-4-enyl]piperazine
CID 171296385
1-[(1S)-1-(5-chloro-2-fluorophenyl)propyl]piperazine
CID 96677014
1-[(1R)-1-(5-chloro-2-fluorophenyl)propyl]piperazine
CID 96677015
1-[(1R)-1-(2,3-difluorophenyl)pent-4-enyl]piperazine
CID 171289612
1-[(1S)-1-(2,3-difluorophenyl)pent-4-enyl]piperazine
CID 171276987
1-[(1R)-1-(5-chloro-2-fluorophenyl)-2-cyclopropylethyl]piperazine
CID 171169090
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
4-chloro-2-methyl-6-[(1R)-1-piperazin-1-ylpent-4-enyl]phenol
CID 171295975

Frequently Asked Questions

What is the IUPAC name of 1-[(1S)-1-(5-chloro-2-fluorophenyl)pent-4-enyl]piperazine?
The IUPAC name of 1-[(1S)-1-(5-chloro-2-fluorophenyl)pent-4-enyl]piperazine (CID 171275471) is 1-[(1S)-1-(5-chloro-2-fluorophenyl)pent-4-enyl]piperazine.
What is the SMILES notation for 1-[(1S)-1-(5-chloro-2-fluorophenyl)pent-4-enyl]piperazine?
The canonical SMILES for 1-[(1S)-1-(5-chloro-2-fluorophenyl)pent-4-enyl]piperazine is C=CCC[C@@H](c1cc(Cl)ccc1F)N1CCNCC1.
What is the InChIKey of 1-[(1S)-1-(5-chloro-2-fluorophenyl)pent-4-enyl]piperazine?
The InChIKey is AAJPHUVTQKGMDB-HNNXBMFYSA-N. The full InChI is InChI=1S/C15H20ClFN2/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/t15-/m0/s1.
What are the key properties of 1-[(1S)-1-(5-chloro-2-fluorophenyl)pent-4-enyl]piperazine?
1-[(1S)-1-(5-chloro-2-fluorophenyl)pent-4-enyl]piperazine has a molecular weight of 282.79 g/mol, XLogP of 3.39, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1S)-1-(5-chloro-2-fluorophenyl)pent-4-enyl]piperazine is sourced from PubChem (CID 171275471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).