1-[(1S)-1-(3,4-dimethoxyphenyl)prop-2-enyl]piperazine;dihydrochloride

C15H24Cl2N2O2 — CID 171273419

IUPAC1-[(1S)-1-(3,4-dimethoxyphenyl)prop-2-enyl]piperazine;dihydrochloride
SMILESC=C[C@@H](c1ccc(OC)c(OC)c1)N1CCNCC1.Cl.Cl
InChIInChI=1S/C15H22N2O2.2ClH/c1-4-13(17-9-7-16-8-10-17)12-5-6-14(18-2)15(11-12)19-3;;/h4-6,11,13,16H,1,7-10H2,2-3H3;2*1H/t13-;;/m0../s1
InChIKeyOQXJJLOOYQNCKH-GXKRWWSZSA-N
MW335.28 g/mol
LogP2.68
Rot. Bonds5

About 1-[(1S)-1-(3,4-dimethoxyphenyl)prop-2-enyl]piperazine;dihydrochloride

1-[(1S)-1-(3,4-dimethoxyphenyl)prop-2-enyl]piperazine;dihydrochloride (PubChem CID 171273419) has the molecular formula C15H24Cl2N2O2 and a molecular weight of 335.28 g/mol. Its IUPAC name is 1-[(1S)-1-(3,4-dimethoxyphenyl)prop-2-enyl]piperazine;dihydrochloride.

Molecular Properties

Compound Name1-[(1S)-1-(3,4-dimethoxyphenyl)prop-2-enyl]piperazine;dihydrochloride
PubChem CID171273419
Molecular FormulaC15H24Cl2N2O2
Molecular Weight335.28 g/mol
Exact Mass334.12
IUPAC Name1-[(1S)-1-(3,4-dimethoxyphenyl)prop-2-enyl]piperazine;dihydrochloride
SMILESC=C[C@@H](c1ccc(OC)c(OC)c1)N1CCNCC1.Cl.Cl
InChIInChI=1S/C15H22N2O2.2ClH/c1-4-13(17-9-7-16-8-10-17)12-5-6-14(18-2)15(11-12)19-3;;/h4-6,11,13,16H,1,7-10H2,2-3H3;2*1H/t13-;;/m0../s1
InChIKeyOQXJJLOOYQNCKH-GXKRWWSZSA-N
XLogP2.68
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.28
LogP ≤ 52.68
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

[2-methoxy-4-[(1S)-1-piperazin-1-ylprop-2-enyl]phenyl] acetate;dihydrochloride
CID 171280928
1-[(1S)-1-(4-methoxy-3-methylphenyl)prop-2-enyl]piperazine
CID 171282576
1-[(1S)-1-(4-methoxy-3-phenylmethoxyphenyl)prop-2-enyl]piperazine
CID 171282129
1-[(1R)-1-(4-bromo-3,5-dimethoxyphenyl)prop-2-enyl]piperazine;dihydrochloride
CID 171288214
1-[(1S)-1-(3,4-dimethoxyphenyl)propyl]piperazine;dihydrochloride
CID 171273417
1-[(1R)-1-(3,4-dimethoxyphenyl)ethyl]piperazine
CID 28798624
2-ethoxy-4-[(1S)-1-piperazin-1-ylprop-2-enyl]phenol
CID 171274552
(2S)-2-(3,4-dimethoxyphenyl)-2-piperazin-1-ylethanol;hydrochloride
CID 171182890
(2R)-2-(3,4-dimethoxyphenyl)-2-piperazin-1-ylethanol;hydrochloride
CID 171183326
1-[(1R)-1-(3,4-dimethoxyphenyl)-2,2,2-trifluoroethyl]piperazine;hydrochloride
CID 171178506
3-methoxy-4-[(1R)-1-piperazin-1-ylprop-2-enyl]phenol;dihydrochloride
CID 171287117
1-[(3,4-dimethoxyphenyl)-(4-methoxyphenyl)methyl]piperazine
CID 3766847

Frequently Asked Questions

What is the IUPAC name of 1-[(1S)-1-(3,4-dimethoxyphenyl)prop-2-enyl]piperazine;dihydrochloride?
The IUPAC name of 1-[(1S)-1-(3,4-dimethoxyphenyl)prop-2-enyl]piperazine;dihydrochloride (CID 171273419) is 1-[(1S)-1-(3,4-dimethoxyphenyl)prop-2-enyl]piperazine;dihydrochloride.
What is the SMILES notation for 1-[(1S)-1-(3,4-dimethoxyphenyl)prop-2-enyl]piperazine;dihydrochloride?
The canonical SMILES for 1-[(1S)-1-(3,4-dimethoxyphenyl)prop-2-enyl]piperazine;dihydrochloride is C=C[C@@H](c1ccc(OC)c(OC)c1)N1CCNCC1.Cl.Cl.
What is the InChIKey of 1-[(1S)-1-(3,4-dimethoxyphenyl)prop-2-enyl]piperazine;dihydrochloride?
The InChIKey is OQXJJLOOYQNCKH-GXKRWWSZSA-N. The full InChI is InChI=1S/C15H22N2O2.2ClH/c1-4-13(17-9-7-16-8-10-17)12-5-6-14(18-2)15(11-12)19-3;;/h4-6,11,13,16H,1,7-10H2,2-3H3;2*1H/t13-;;/m0../s1.
What are the key properties of 1-[(1S)-1-(3,4-dimethoxyphenyl)prop-2-enyl]piperazine;dihydrochloride?
1-[(1S)-1-(3,4-dimethoxyphenyl)prop-2-enyl]piperazine;dihydrochloride has a molecular weight of 335.28 g/mol, XLogP of 2.68, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1S)-1-(3,4-dimethoxyphenyl)prop-2-enyl]piperazine;dihydrochloride is sourced from PubChem (CID 171273419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).