1-[(1R)-1-(4-methylsulfonylphenyl)prop-2-enyl]piperazine;dihydrochloride

C14H22Cl2N2O2S — CID 171285322

IUPAC1-[(1R)-1-(4-methylsulfonylphenyl)prop-2-enyl]piperazine;dihydrochloride
SMILESC=C[C@H](c1ccc(S(C)(=O)=O)cc1)N1CCNCC1.Cl.Cl
InChIInChI=1S/C14H20N2O2S.2ClH/c1-3-14(16-10-8-15-9-11-16)12-4-6-13(7-5-12)19(2,17)18;;/h3-7,14-15H,1,8-11H2,2H3;2*1H/t14-;;/m1../s1
InChIKeyUBYWXXAMVGKTGJ-FMOMHUKBSA-N
MW353.32 g/mol
LogP2.07
Rot. Bonds4

About 1-[(1R)-1-(4-methylsulfonylphenyl)prop-2-enyl]piperazine;dihydrochloride

1-[(1R)-1-(4-methylsulfonylphenyl)prop-2-enyl]piperazine;dihydrochloride (PubChem CID 171285322) has the molecular formula C14H22Cl2N2O2S and a molecular weight of 353.32 g/mol. Its IUPAC name is 1-[(1R)-1-(4-methylsulfonylphenyl)prop-2-enyl]piperazine;dihydrochloride.

Molecular Properties

Compound Name1-[(1R)-1-(4-methylsulfonylphenyl)prop-2-enyl]piperazine;dihydrochloride
PubChem CID171285322
Molecular FormulaC14H22Cl2N2O2S
Molecular Weight353.32 g/mol
Exact Mass352.08
IUPAC Name1-[(1R)-1-(4-methylsulfonylphenyl)prop-2-enyl]piperazine;dihydrochloride
SMILESC=C[C@H](c1ccc(S(C)(=O)=O)cc1)N1CCNCC1.Cl.Cl
InChIInChI=1S/C14H20N2O2S.2ClH/c1-3-14(16-10-8-15-9-11-16)12-4-6-13(7-5-12)19(2,17)18;;/h3-7,14-15H,1,8-11H2,2H3;2*1H/t14-;;/m1../s1
InChIKeyUBYWXXAMVGKTGJ-FMOMHUKBSA-N
XLogP2.07
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.32
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-[(1R)-1-(4-methylsulfonylphenyl)ethyl]piperazine
CID 93464376
4-[(1S)-1-piperazin-1-ylprop-2-enyl]phenol
CID 131631160
1-[(1R)-2,2,2-trifluoro-1-(4-methylsulfonylphenyl)ethyl]piperazine;hydrochloride
CID 171178302
trimethyl-[4-[(1R)-1-piperazin-1-ylprop-2-enyl]phenoxy]silane;dihydrochloride
CID 171291643
1-[(1S)-1-(4-methylsulfonylphenyl)butyl]piperazine;dihydrochloride
CID 171272715
1-[(1R)-2,2,2-trifluoro-1-(4-methylsulfonylphenyl)ethyl]piperazine
CID 171178301
(2R)-2-(4-methylsulfonylphenyl)-2-piperazin-1-ylethanol
CID 171183294
1-[(1S)-1-(4-methylsulfonylphenyl)butyl]piperazine
CID 171272714
1-[(R)-(4-methylsulfonylphenyl)-thiophen-2-ylmethyl]piperazine;dihydrochloride
CID 171272709
1-[(1S)-1-(3,4-dimethoxyphenyl)prop-2-enyl]piperazine;dihydrochloride
CID 171273419
1-[(1S)-4,4,4-trifluoro-1-(4-methylsulfonylphenyl)butyl]piperazine
CID 171162701
1-[(1S)-3,3,3-trifluoro-1-(4-methylsulfonylphenyl)propyl]piperazine
CID 171162703

Frequently Asked Questions

What is the IUPAC name of 1-[(1R)-1-(4-methylsulfonylphenyl)prop-2-enyl]piperazine;dihydrochloride?
The IUPAC name of 1-[(1R)-1-(4-methylsulfonylphenyl)prop-2-enyl]piperazine;dihydrochloride (CID 171285322) is 1-[(1R)-1-(4-methylsulfonylphenyl)prop-2-enyl]piperazine;dihydrochloride.
What is the SMILES notation for 1-[(1R)-1-(4-methylsulfonylphenyl)prop-2-enyl]piperazine;dihydrochloride?
The canonical SMILES for 1-[(1R)-1-(4-methylsulfonylphenyl)prop-2-enyl]piperazine;dihydrochloride is C=C[C@H](c1ccc(S(C)(=O)=O)cc1)N1CCNCC1.Cl.Cl.
What is the InChIKey of 1-[(1R)-1-(4-methylsulfonylphenyl)prop-2-enyl]piperazine;dihydrochloride?
The InChIKey is UBYWXXAMVGKTGJ-FMOMHUKBSA-N. The full InChI is InChI=1S/C14H20N2O2S.2ClH/c1-3-14(16-10-8-15-9-11-16)12-4-6-13(7-5-12)19(2,17)18;;/h3-7,14-15H,1,8-11H2,2H3;2*1H/t14-;;/m1../s1.
What are the key properties of 1-[(1R)-1-(4-methylsulfonylphenyl)prop-2-enyl]piperazine;dihydrochloride?
1-[(1R)-1-(4-methylsulfonylphenyl)prop-2-enyl]piperazine;dihydrochloride has a molecular weight of 353.32 g/mol, XLogP of 2.07, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1R)-1-(4-methylsulfonylphenyl)prop-2-enyl]piperazine;dihydrochloride is sourced from PubChem (CID 171285322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).