1-[(1R)-1-(3,5-dichlorophenyl)prop-2-enyl]piperazine

C13H16Cl2N2 — CID 171288389

IUPAC1-[(1R)-1-(3,5-dichlorophenyl)prop-2-enyl]piperazine
SMILESC=C[C@H](c1cc(Cl)cc(Cl)c1)N1CCNCC1
InChIInChI=1S/C13H16Cl2N2/c1-2-13(17-5-3-16-4-6-17)10-7-11(14)9-12(15)8-10/h2,7-9,13,16H,1,3-6H2/t13-/m1/s1
InChIKeyJKZBJPUTYNUNNW-CYBMUJFWSA-N
MW271.19 g/mol
LogP3.13
Rot. Bonds3

About 1-[(1R)-1-(3,5-dichlorophenyl)prop-2-enyl]piperazine

1-[(1R)-1-(3,5-dichlorophenyl)prop-2-enyl]piperazine (PubChem CID 171288389) has the molecular formula C13H16Cl2N2 and a molecular weight of 271.19 g/mol. Its IUPAC name is 1-[(1R)-1-(3,5-dichlorophenyl)prop-2-enyl]piperazine.

Molecular Properties

Compound Name1-[(1R)-1-(3,5-dichlorophenyl)prop-2-enyl]piperazine
PubChem CID171288389
Molecular FormulaC13H16Cl2N2
Molecular Weight271.19 g/mol
Exact Mass270.07
IUPAC Name1-[(1R)-1-(3,5-dichlorophenyl)prop-2-enyl]piperazine
SMILESC=C[C@H](c1cc(Cl)cc(Cl)c1)N1CCNCC1
InChIInChI=1S/C13H16Cl2N2/c1-2-13(17-5-3-16-4-6-17)10-7-11(14)9-12(15)8-10/h2,7-9,13,16H,1,3-6H2/t13-/m1/s1
InChIKeyJKZBJPUTYNUNNW-CYBMUJFWSA-N
XLogP3.13
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.19
LogP ≤ 53.13
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-(3-chlorophenyl)prop-2-enyl]piperazine;dihydrochloride
CID 171286216
1-[(1R)-1-(4-chloro-2,6-difluorophenyl)prop-2-enyl]piperazine
CID 171172260
1-[(1S)-1-(3-chloro-4-fluorophenyl)prop-2-enyl]piperazine
CID 171163445
2,6-diiodo-4-[(1R)-1-piperazin-1-ylprop-2-enyl]phenol
CID 171296483
3,5-dichloro-2-[(1S)-1-piperazin-1-ylprop-2-enyl]phenol
CID 171283799
1-[(1S)-1-(4-chloro-3-fluorophenyl)prop-2-enyl]piperazine
CID 171166426
2,4-dichloro-6-[(1S)-1-piperazin-1-ylprop-2-enyl]phenol;dihydrochloride
CID 171272180
1-[(1R)-1-(3-bromo-4-chlorophenyl)prop-2-enyl]piperazine;dihydrochloride
CID 171289468
4-[(1S)-1-piperazin-1-ylprop-2-enyl]phenol
CID 131631160
1-[(1R)-1-(2-bromo-4-chlorophenyl)prop-2-enyl]piperazine
CID 171289378
1-[(1R)-1-(4-bromo-3,5-dimethoxyphenyl)prop-2-enyl]piperazine;dihydrochloride
CID 171288214
1-[(1R)-1-(2-chloro-3,6-difluorophenyl)prop-2-enyl]piperazine
CID 171171552

Frequently Asked Questions

What is the IUPAC name of 1-[(1R)-1-(3,5-dichlorophenyl)prop-2-enyl]piperazine?
The IUPAC name of 1-[(1R)-1-(3,5-dichlorophenyl)prop-2-enyl]piperazine (CID 171288389) is 1-[(1R)-1-(3,5-dichlorophenyl)prop-2-enyl]piperazine.
What is the SMILES notation for 1-[(1R)-1-(3,5-dichlorophenyl)prop-2-enyl]piperazine?
The canonical SMILES for 1-[(1R)-1-(3,5-dichlorophenyl)prop-2-enyl]piperazine is C=C[C@H](c1cc(Cl)cc(Cl)c1)N1CCNCC1.
What is the InChIKey of 1-[(1R)-1-(3,5-dichlorophenyl)prop-2-enyl]piperazine?
The InChIKey is JKZBJPUTYNUNNW-CYBMUJFWSA-N. The full InChI is InChI=1S/C13H16Cl2N2/c1-2-13(17-5-3-16-4-6-17)10-7-11(14)9-12(15)8-10/h2,7-9,13,16H,1,3-6H2/t13-/m1/s1.
What are the key properties of 1-[(1R)-1-(3,5-dichlorophenyl)prop-2-enyl]piperazine?
1-[(1R)-1-(3,5-dichlorophenyl)prop-2-enyl]piperazine has a molecular weight of 271.19 g/mol, XLogP of 3.13, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1R)-1-(3,5-dichlorophenyl)prop-2-enyl]piperazine is sourced from PubChem (CID 171288389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).