1-[(1R)-1-(3,4-dichlorophenyl)but-3-enyl]piperazine

C14H18Cl2N2 — CID 171287548

IUPAC1-[(1R)-1-(3,4-dichlorophenyl)but-3-enyl]piperazine
SMILESC=CC[C@H](c1ccc(Cl)c(Cl)c1)N1CCNCC1
InChIInChI=1S/C14H18Cl2N2/c1-2-3-14(18-8-6-17-7-9-18)11-4-5-12(15)13(16)10-11/h2,4-5,10,14,17H,1,3,6-9H2/t14-/m1/s1
InChIKeyUQFBQJQIQGTAEV-CQSZACIVSA-N
MW285.22 g/mol
LogP3.52
Rot. Bonds4

About 1-[(1R)-1-(3,4-dichlorophenyl)but-3-enyl]piperazine

1-[(1R)-1-(3,4-dichlorophenyl)but-3-enyl]piperazine (PubChem CID 171287548) has the molecular formula C14H18Cl2N2 and a molecular weight of 285.22 g/mol. Its IUPAC name is 1-[(1R)-1-(3,4-dichlorophenyl)but-3-enyl]piperazine.

Molecular Properties

Compound Name1-[(1R)-1-(3,4-dichlorophenyl)but-3-enyl]piperazine
PubChem CID171287548
Molecular FormulaC14H18Cl2N2
Molecular Weight285.22 g/mol
Exact Mass284.08
IUPAC Name1-[(1R)-1-(3,4-dichlorophenyl)but-3-enyl]piperazine
SMILESC=CC[C@H](c1ccc(Cl)c(Cl)c1)N1CCNCC1
InChIInChI=1S/C14H18Cl2N2/c1-2-3-14(18-8-6-17-7-9-18)11-4-5-12(15)13(16)10-11/h2,4-5,10,14,17H,1,3,6-9H2/t14-/m1/s1
InChIKeyUQFBQJQIQGTAEV-CQSZACIVSA-N
XLogP3.52
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.22
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-[(1R)-1-[4-chloro-3-(trifluoromethyl)phenyl]but-3-enyl]piperazine
CID 171170793
1-[(1R)-1-[3-chloro-4-(trifluoromethyl)phenyl]but-3-enyl]piperazine;hydrochloride
CID 171172870
1-[(1R)-1-[3-chloro-4-(trifluoromethoxy)phenyl]but-3-enyl]piperazine;dihydrochloride
CID 171292097
1-[(1R)-1-(4-methylphenyl)but-3-enyl]piperazine
CID 171294160
1-[(1R)-1-(3,4-dichlorophenyl)-3-methylbutyl]piperazine;dihydrochloride
CID 171287565
(3R)-3-(3,4-dichlorophenyl)-3-piperazin-1-ylpropanenitrile
CID 171306644
(3S)-3-(3,4-dichlorophenyl)-3-piperazin-1-ylpropan-1-ol;hydrochloride
CID 171189504
1-[(1R)-1-(3-bromo-4-fluorophenyl)but-3-enyl]piperazine
CID 171168658
1-[(1R)-1-(3,6-dichloro-2-fluorophenyl)but-3-enyl]piperazine;dihydrochloride
CID 171296396
1-[1-(3,4-dichlorophenyl)propyl]-1,4-diazepane
CID 3802587
6-[(1S)-1-piperazin-1-ylbut-3-enyl]-1H-indole;dihydrochloride
CID 171277858
1-[(1S)-1-(3-fluoro-4-methylphenyl)but-3-enyl]piperazine;hydrochloride
CID 171164286

Frequently Asked Questions

What is the IUPAC name of 1-[(1R)-1-(3,4-dichlorophenyl)but-3-enyl]piperazine?
The IUPAC name of 1-[(1R)-1-(3,4-dichlorophenyl)but-3-enyl]piperazine (CID 171287548) is 1-[(1R)-1-(3,4-dichlorophenyl)but-3-enyl]piperazine.
What is the SMILES notation for 1-[(1R)-1-(3,4-dichlorophenyl)but-3-enyl]piperazine?
The canonical SMILES for 1-[(1R)-1-(3,4-dichlorophenyl)but-3-enyl]piperazine is C=CC[C@H](c1ccc(Cl)c(Cl)c1)N1CCNCC1.
What is the InChIKey of 1-[(1R)-1-(3,4-dichlorophenyl)but-3-enyl]piperazine?
The InChIKey is UQFBQJQIQGTAEV-CQSZACIVSA-N. The full InChI is InChI=1S/C14H18Cl2N2/c1-2-3-14(18-8-6-17-7-9-18)11-4-5-12(15)13(16)10-11/h2,4-5,10,14,17H,1,3,6-9H2/t14-/m1/s1.
What are the key properties of 1-[(1R)-1-(3,4-dichlorophenyl)but-3-enyl]piperazine?
1-[(1R)-1-(3,4-dichlorophenyl)but-3-enyl]piperazine has a molecular weight of 285.22 g/mol, XLogP of 3.52, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1R)-1-(3,4-dichlorophenyl)but-3-enyl]piperazine is sourced from PubChem (CID 171287548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).