1-[(1R)-1-(3,4,5-trimethoxyphenyl)pent-4-enyl]piperazine;dihydrochloride

C18H30Cl2N2O3 — CID 171286281

IUPAC1-[(1R)-1-(3,4,5-trimethoxyphenyl)pent-4-enyl]piperazine;dihydrochloride
SMILESC=CCC[C@H](c1cc(OC)c(OC)c(OC)c1)N1CCNCC1.Cl.Cl
InChIInChI=1S/C18H28N2O3.2ClH/c1-5-6-7-15(20-10-8-19-9-11-20)14-12-16(21-2)18(23-4)17(13-14)22-3;;/h5,12-13,15,19H,1,6-11H2,2-4H3;2*1H/t15-;;/m1../s1
InChIKeyKSTVKSBQTVEIJR-QCUBGVIVSA-N
MW393.36 g/mol
LogP3.47
Rot. Bonds8

About 1-[(1R)-1-(3,4,5-trimethoxyphenyl)pent-4-enyl]piperazine;dihydrochloride

1-[(1R)-1-(3,4,5-trimethoxyphenyl)pent-4-enyl]piperazine;dihydrochloride (PubChem CID 171286281) has the molecular formula C18H30Cl2N2O3 and a molecular weight of 393.36 g/mol. Its IUPAC name is 1-[(1R)-1-(3,4,5-trimethoxyphenyl)pent-4-enyl]piperazine;dihydrochloride.

Molecular Properties

Compound Name1-[(1R)-1-(3,4,5-trimethoxyphenyl)pent-4-enyl]piperazine;dihydrochloride
PubChem CID171286281
Molecular FormulaC18H30Cl2N2O3
Molecular Weight393.36 g/mol
Exact Mass392.16
IUPAC Name1-[(1R)-1-(3,4,5-trimethoxyphenyl)pent-4-enyl]piperazine;dihydrochloride
SMILESC=CCC[C@H](c1cc(OC)c(OC)c(OC)c1)N1CCNCC1.Cl.Cl
InChIInChI=1S/C18H28N2O3.2ClH/c1-5-6-7-15(20-10-8-19-9-11-20)14-12-16(21-2)18(23-4)17(13-14)22-3;;/h5,12-13,15,19H,1,6-11H2,2-4H3;2*1H/t15-;;/m1../s1
InChIKeyKSTVKSBQTVEIJR-QCUBGVIVSA-N
XLogP3.47
TPSA42.96 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.36
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-[(1S)-1-(3,4,5-trimethoxyphenyl)but-3-enyl]piperazine
CID 171273628
1-[(1R)-4-methyl-1-(3,4,5-trimethoxyphenyl)pentyl]piperazine
CID 171310677
[2-methoxy-4-[(1R)-1-piperazin-1-ylpent-4-enyl]phenyl] acetate;dihydrochloride
CID 171293582
1-[(1R)-1-(2-fluoro-4,5-dimethoxyphenyl)pent-4-enyl]piperazine;dihydrochloride
CID 171295391
3,5-dimethoxy-4-[(1R)-1-piperazin-1-ylpent-4-enyl]phenol
CID 171291518
1-[(1R)-3-methyl-1-(3,4,5-trimethoxyphenyl)but-3-enyl]piperazine
CID 171286282
1-[(1S)-1-(5-chloro-2-methoxyphenyl)pent-4-enyl]piperazine;dihydrochloride
CID 171283386
3-methoxy-4-[(1S)-1-piperazin-1-ylpent-4-enyl]phenol;dihydrochloride
CID 171274519
1-[(1R)-1-(5-fluoro-2-methoxyphenyl)pent-4-enyl]piperazine;dihydrochloride
CID 171290387
1-[(1S)-1-(5-fluoro-2-methoxyphenyl)pent-4-enyl]piperazine;dihydrochloride
CID 171277762
2,6-dimethoxy-4-[(1R)-1-piperazin-1-ylbut-3-enyl]phenol;dihydrochloride
CID 171286402
1-[(1R)-1-(2-methoxynaphthalen-1-yl)pent-4-enyl]piperazine;dihydrochloride
CID 171294742

Frequently Asked Questions

What is the IUPAC name of 1-[(1R)-1-(3,4,5-trimethoxyphenyl)pent-4-enyl]piperazine;dihydrochloride?
The IUPAC name of 1-[(1R)-1-(3,4,5-trimethoxyphenyl)pent-4-enyl]piperazine;dihydrochloride (CID 171286281) is 1-[(1R)-1-(3,4,5-trimethoxyphenyl)pent-4-enyl]piperazine;dihydrochloride.
What is the SMILES notation for 1-[(1R)-1-(3,4,5-trimethoxyphenyl)pent-4-enyl]piperazine;dihydrochloride?
The canonical SMILES for 1-[(1R)-1-(3,4,5-trimethoxyphenyl)pent-4-enyl]piperazine;dihydrochloride is C=CCC[C@H](c1cc(OC)c(OC)c(OC)c1)N1CCNCC1.Cl.Cl.
What is the InChIKey of 1-[(1R)-1-(3,4,5-trimethoxyphenyl)pent-4-enyl]piperazine;dihydrochloride?
The InChIKey is KSTVKSBQTVEIJR-QCUBGVIVSA-N. The full InChI is InChI=1S/C18H28N2O3.2ClH/c1-5-6-7-15(20-10-8-19-9-11-20)14-12-16(21-2)18(23-4)17(13-14)22-3;;/h5,12-13,15,19H,1,6-11H2,2-4H3;2*1H/t15-;;/m1../s1.
What are the key properties of 1-[(1R)-1-(3,4,5-trimethoxyphenyl)pent-4-enyl]piperazine;dihydrochloride?
1-[(1R)-1-(3,4,5-trimethoxyphenyl)pent-4-enyl]piperazine;dihydrochloride has a molecular weight of 393.36 g/mol, XLogP of 3.47, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1R)-1-(3,4,5-trimethoxyphenyl)pent-4-enyl]piperazine;dihydrochloride is sourced from PubChem (CID 171286281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).