1-[(1R)-1-(2-chlorophenyl)prop-2-enyl]piperazine;dihydrochloride

C13H19Cl3N2 — CID 171294072

IUPAC1-[(1R)-1-(2-chlorophenyl)prop-2-enyl]piperazine;dihydrochloride
SMILESC=C[C@H](c1ccccc1Cl)N1CCNCC1.Cl.Cl
InChIInChI=1S/C13H17ClN2.2ClH/c1-2-13(16-9-7-15-8-10-16)11-5-3-4-6-12(11)14;;/h2-6,13,15H,1,7-10H2;2*1H/t13-;;/m1../s1
InChIKeySYZAQIJGNUENLG-FFXKMJQXSA-N
MW309.67 g/mol
LogP3.32
Rot. Bonds3

About 1-[(1R)-1-(2-chlorophenyl)prop-2-enyl]piperazine;dihydrochloride

1-[(1R)-1-(2-chlorophenyl)prop-2-enyl]piperazine;dihydrochloride (PubChem CID 171294072) has the molecular formula C13H19Cl3N2 and a molecular weight of 309.67 g/mol. Its IUPAC name is 1-[(1R)-1-(2-chlorophenyl)prop-2-enyl]piperazine;dihydrochloride.

Molecular Properties

Compound Name1-[(1R)-1-(2-chlorophenyl)prop-2-enyl]piperazine;dihydrochloride
PubChem CID171294072
Molecular FormulaC13H19Cl3N2
Molecular Weight309.67 g/mol
Exact Mass308.06
IUPAC Name1-[(1R)-1-(2-chlorophenyl)prop-2-enyl]piperazine;dihydrochloride
SMILESC=C[C@H](c1ccccc1Cl)N1CCNCC1.Cl.Cl
InChIInChI=1S/C13H17ClN2.2ClH/c1-2-13(16-9-7-15-8-10-16)11-5-3-4-6-12(11)14;;/h2-6,13,15H,1,7-10H2;2*1H/t13-;;/m1../s1
InChIKeySYZAQIJGNUENLG-FFXKMJQXSA-N
XLogP3.32
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.67
LogP ≤ 53.32
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

2-[(1R)-1-piperazin-1-ylprop-2-enyl]phenol
CID 131622980
1-[(1S)-1-(2-chloro-3-pyridinyl)prop-2-enyl]piperazine;dihydrochloride
CID 171273123
1-[(1R)-1-(2-fluorophenyl)prop-2-enyl]piperazine
CID 102231371
1-[(1R)-1-naphthalen-1-ylprop-2-enyl]piperazine;dihydrochloride
CID 171294037
1-[(1R)-1-(2-chloro-5-fluorophenyl)prop-2-enyl]piperazine
CID 171169915
1-[1-(2-phenylphenyl)prop-2-enyl]piperazine
CID 67317637
1-[(1R)-1-(2,3-dimethylphenyl)prop-2-enyl]piperazine;dihydrochloride
CID 171288426
2-[(1S)-1-piperazin-1-ylprop-2-enyl]benzonitrile
CID 171275414
1-[(1R)-1-(2-chlorophenyl)but-3-enyl]piperazine
CID 171294077
2-bromo-3-chloro-6-[(1R)-1-piperazin-1-ylprop-2-enyl]phenol;dihydrochloride
CID 171300759
1-[(1R)-1-[2-(trifluoromethoxy)phenyl]prop-2-enyl]piperazine;dihydrochloride
CID 171293086
2,4-dichloro-6-[(1S)-1-piperazin-1-ylprop-2-enyl]phenol;dihydrochloride
CID 171272180

Frequently Asked Questions

What is the IUPAC name of 1-[(1R)-1-(2-chlorophenyl)prop-2-enyl]piperazine;dihydrochloride?
The IUPAC name of 1-[(1R)-1-(2-chlorophenyl)prop-2-enyl]piperazine;dihydrochloride (CID 171294072) is 1-[(1R)-1-(2-chlorophenyl)prop-2-enyl]piperazine;dihydrochloride.
What is the SMILES notation for 1-[(1R)-1-(2-chlorophenyl)prop-2-enyl]piperazine;dihydrochloride?
The canonical SMILES for 1-[(1R)-1-(2-chlorophenyl)prop-2-enyl]piperazine;dihydrochloride is C=C[C@H](c1ccccc1Cl)N1CCNCC1.Cl.Cl.
What is the InChIKey of 1-[(1R)-1-(2-chlorophenyl)prop-2-enyl]piperazine;dihydrochloride?
The InChIKey is SYZAQIJGNUENLG-FFXKMJQXSA-N. The full InChI is InChI=1S/C13H17ClN2.2ClH/c1-2-13(16-9-7-15-8-10-16)11-5-3-4-6-12(11)14;;/h2-6,13,15H,1,7-10H2;2*1H/t13-;;/m1../s1.
What are the key properties of 1-[(1R)-1-(2-chlorophenyl)prop-2-enyl]piperazine;dihydrochloride?
1-[(1R)-1-(2-chlorophenyl)prop-2-enyl]piperazine;dihydrochloride has a molecular weight of 309.67 g/mol, XLogP of 3.32, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1R)-1-(2-chlorophenyl)prop-2-enyl]piperazine;dihydrochloride is sourced from PubChem (CID 171294072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).