1-[(1R)-1-(2,6-dichlorophenyl)pent-4-enyl]piperazine

C15H20Cl2N2 — CID 171284992

IUPAC1-[(1R)-1-(2,6-dichlorophenyl)pent-4-enyl]piperazine
SMILESC=CCC[C@H](c1c(Cl)cccc1Cl)N1CCNCC1
InChIInChI=1S/C15H20Cl2N2/c1-2-3-7-14(19-10-8-18-9-11-19)15-12(16)5-4-6-13(15)17/h2,4-6,14,18H,1,3,7-11H2/t14-/m1/s1
InChIKeyQKXRYLDIUPYXID-CQSZACIVSA-N
MW299.25 g/mol
LogP3.91
Rot. Bonds5

About 1-[(1R)-1-(2,6-dichlorophenyl)pent-4-enyl]piperazine

1-[(1R)-1-(2,6-dichlorophenyl)pent-4-enyl]piperazine (PubChem CID 171284992) has the molecular formula C15H20Cl2N2 and a molecular weight of 299.25 g/mol. Its IUPAC name is 1-[(1R)-1-(2,6-dichlorophenyl)pent-4-enyl]piperazine.

Molecular Properties

Compound Name1-[(1R)-1-(2,6-dichlorophenyl)pent-4-enyl]piperazine
PubChem CID171284992
Molecular FormulaC15H20Cl2N2
Molecular Weight299.25 g/mol
Exact Mass298.10
IUPAC Name1-[(1R)-1-(2,6-dichlorophenyl)pent-4-enyl]piperazine
SMILESC=CCC[C@H](c1c(Cl)cccc1Cl)N1CCNCC1
InChIInChI=1S/C15H20Cl2N2/c1-2-3-7-14(19-10-8-18-9-11-19)15-12(16)5-4-6-13(15)17/h2,4-6,14,18H,1,3,7-11H2/t14-/m1/s1
InChIKeyQKXRYLDIUPYXID-CQSZACIVSA-N
XLogP3.91
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.25
LogP ≤ 53.91
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-[(1S)-1-(2,3,6-trichlorophenyl)pent-4-enyl]piperazine
CID 171282007
1-[(1S)-1-(2-chloro-6-fluorophenyl)hept-6-enyl]piperazine;hydrochloride
CID 171163168
1-[(1S)-1-(2,6-dichlorophenyl)-3-fluoropropyl]piperazine
CID 171162697
1-[(1R)-1-(2,3-dichloro-6-fluorophenyl)pent-4-enyl]piperazine
CID 171296385
6-chloro-3-fluoro-2-[(1R)-1-piperazin-1-ylpent-4-enyl]phenol
CID 171302070
3-bromo-6-chloro-2-[(1S)-1-piperazin-1-ylpent-4-enyl]phenol;dihydrochloride
CID 171297712
1-[(1R)-2-cyclopropyl-1-(2,6-dichlorophenyl)ethyl]piperazine
CID 171284986
1-[(1R)-1-anthracen-9-ylpent-4-enyl]piperazine;dihydrochloride
CID 171284729
1-[(1S)-1-anthracen-9-ylpent-4-enyl]piperazine;dihydrochloride
CID 171272101
1-[(1R)-1-[2-chloro-3-(trifluoromethyl)phenyl]pent-4-enyl]piperazine
CID 171292685
1-[(1R)-1-(2-fluoro-6-methoxyphenyl)pent-4-enyl]piperazine
CID 171293400
2-[(1S)-1-piperazin-1-ylpent-4-enyl]phenol
CID 171274672

Frequently Asked Questions

What is the IUPAC name of 1-[(1R)-1-(2,6-dichlorophenyl)pent-4-enyl]piperazine?
The IUPAC name of 1-[(1R)-1-(2,6-dichlorophenyl)pent-4-enyl]piperazine (CID 171284992) is 1-[(1R)-1-(2,6-dichlorophenyl)pent-4-enyl]piperazine.
What is the SMILES notation for 1-[(1R)-1-(2,6-dichlorophenyl)pent-4-enyl]piperazine?
The canonical SMILES for 1-[(1R)-1-(2,6-dichlorophenyl)pent-4-enyl]piperazine is C=CCC[C@H](c1c(Cl)cccc1Cl)N1CCNCC1.
What is the InChIKey of 1-[(1R)-1-(2,6-dichlorophenyl)pent-4-enyl]piperazine?
The InChIKey is QKXRYLDIUPYXID-CQSZACIVSA-N. The full InChI is InChI=1S/C15H20Cl2N2/c1-2-3-7-14(19-10-8-18-9-11-19)15-12(16)5-4-6-13(15)17/h2,4-6,14,18H,1,3,7-11H2/t14-/m1/s1.
What are the key properties of 1-[(1R)-1-(2,6-dichlorophenyl)pent-4-enyl]piperazine?
1-[(1R)-1-(2,6-dichlorophenyl)pent-4-enyl]piperazine has a molecular weight of 299.25 g/mol, XLogP of 3.91, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1R)-1-(2,6-dichlorophenyl)pent-4-enyl]piperazine is sourced from PubChem (CID 171284992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).