1-[(1R)-3-methyl-1-(3,4,5-trimethoxyphenyl)but-3-enyl]piperazine

C18H28N2O3 — CID 171286282

IUPAC1-[(1R)-3-methyl-1-(3,4,5-trimethoxyphenyl)but-3-enyl]piperazine
SMILESC=C(C)C[C@H](c1cc(OC)c(OC)c(OC)c1)N1CCNCC1
InChIInChI=1S/C18H28N2O3/c1-13(2)10-15(20-8-6-19-7-9-20)14-11-16(21-3)18(23-5)17(12-14)22-4/h11-12,15,19H,1,6-10H2,2-5H3/t15-/m1/s1
InChIKeyPVRZAXRITBERCU-OAHLLOKOSA-N
MW320.43 g/mol
LogP2.62
Rot. Bonds7

About 1-[(1R)-3-methyl-1-(3,4,5-trimethoxyphenyl)but-3-enyl]piperazine

1-[(1R)-3-methyl-1-(3,4,5-trimethoxyphenyl)but-3-enyl]piperazine (PubChem CID 171286282) has the molecular formula C18H28N2O3 and a molecular weight of 320.43 g/mol. Its IUPAC name is 1-[(1R)-3-methyl-1-(3,4,5-trimethoxyphenyl)but-3-enyl]piperazine.

Molecular Properties

Compound Name1-[(1R)-3-methyl-1-(3,4,5-trimethoxyphenyl)but-3-enyl]piperazine
PubChem CID171286282
Molecular FormulaC18H28N2O3
Molecular Weight320.43 g/mol
Exact Mass320.21
IUPAC Name1-[(1R)-3-methyl-1-(3,4,5-trimethoxyphenyl)but-3-enyl]piperazine
SMILESC=C(C)C[C@H](c1cc(OC)c(OC)c(OC)c1)N1CCNCC1
InChIInChI=1S/C18H28N2O3/c1-13(2)10-15(20-8-6-19-7-9-20)14-11-16(21-3)18(23-5)17(12-14)22-4/h11-12,15,19H,1,6-10H2,2-5H3/t15-/m1/s1
InChIKeyPVRZAXRITBERCU-OAHLLOKOSA-N
XLogP2.62
TPSA42.96 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.43
LogP ≤ 52.62
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-(4-bromo-3,5-dimethoxyphenyl)-3-methylbut-3-enyl]piperazine
CID 171275617
2-bromo-6-methoxy-4-[(1R)-3-methyl-1-piperazin-1-ylbut-3-enyl]phenol;dihydrochloride
CID 171291164
1-[(1R)-1-(4-methoxy-3-methylphenyl)-3-methylbut-3-enyl]piperazine;dihydrochloride
CID 171295223
1-[(1S)-1-(3,4,5-trimethoxyphenyl)but-3-enyl]piperazine
CID 171273628
1-[(1S)-1-(3-ethoxy-4-methoxyphenyl)-3-methylbut-3-enyl]piperazine;dihydrochloride
CID 171280922
1-[(1S)-1-(2,6-dimethoxy-4-methylphenyl)-3-methylbut-3-enyl]piperazine
CID 171283971
1-[(1R)-4-methyl-1-(3,4,5-trimethoxyphenyl)pentyl]piperazine
CID 171310677
5-[(1S)-3-methyl-1-piperazin-1-ylbut-3-enyl]benzene-1,3-diol;dihydrochloride
CID 171273875
1-[(1S)-1-(3,5-dichlorophenyl)-3-methylbut-3-enyl]piperazine
CID 171275793
1-[(1R)-1-(3-methoxyphenyl)-3-methylbut-3-enyl]piperazine
CID 171286732
1-[(1R)-1-(3,4,5-trimethoxyphenyl)pent-4-enyl]piperazine;dihydrochloride
CID 171286281
1-[(1S)-1-(4-methoxy-3-nitrophenyl)-3-methylbut-3-enyl]piperazine
CID 171276026

Frequently Asked Questions

What is the IUPAC name of 1-[(1R)-3-methyl-1-(3,4,5-trimethoxyphenyl)but-3-enyl]piperazine?
The IUPAC name of 1-[(1R)-3-methyl-1-(3,4,5-trimethoxyphenyl)but-3-enyl]piperazine (CID 171286282) is 1-[(1R)-3-methyl-1-(3,4,5-trimethoxyphenyl)but-3-enyl]piperazine.
What is the SMILES notation for 1-[(1R)-3-methyl-1-(3,4,5-trimethoxyphenyl)but-3-enyl]piperazine?
The canonical SMILES for 1-[(1R)-3-methyl-1-(3,4,5-trimethoxyphenyl)but-3-enyl]piperazine is C=C(C)C[C@H](c1cc(OC)c(OC)c(OC)c1)N1CCNCC1.
What is the InChIKey of 1-[(1R)-3-methyl-1-(3,4,5-trimethoxyphenyl)but-3-enyl]piperazine?
The InChIKey is PVRZAXRITBERCU-OAHLLOKOSA-N. The full InChI is InChI=1S/C18H28N2O3/c1-13(2)10-15(20-8-6-19-7-9-20)14-11-16(21-3)18(23-5)17(12-14)22-4/h11-12,15,19H,1,6-10H2,2-5H3/t15-/m1/s1.
What are the key properties of 1-[(1R)-3-methyl-1-(3,4,5-trimethoxyphenyl)but-3-enyl]piperazine?
1-[(1R)-3-methyl-1-(3,4,5-trimethoxyphenyl)but-3-enyl]piperazine has a molecular weight of 320.43 g/mol, XLogP of 2.62, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1R)-3-methyl-1-(3,4,5-trimethoxyphenyl)but-3-enyl]piperazine is sourced from PubChem (CID 171286282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).