1-[(1R)-1-(4,5-dimethoxy-2-phenylmethoxyphenyl)pent-4-enyl]piperazine

C24H32N2O3 — CID 171295610

IUPAC1-[(1R)-1-(4,5-dimethoxy-2-phenylmethoxyphenyl)pent-4-enyl]piperazine
SMILESC=CCC[C@H](c1cc(OC)c(OC)cc1OCc1ccccc1)N1CCNCC1
InChIInChI=1S/C24H32N2O3/c1-4-5-11-21(26-14-12-25-13-15-26)20-16-23(27-2)24(28-3)17-22(20)29-18-19-9-7-6-8-10-19/h4,6-10,16-17,21,25H,1,5,11-15,18H2,2-3H3/t21-/m1/s1
InChIKeyIBGVGBVSXFFFCR-OAQYLSRUSA-N
MW396.53 g/mol
LogP4.20
Rot. Bonds10

About 1-[(1R)-1-(4,5-dimethoxy-2-phenylmethoxyphenyl)pent-4-enyl]piperazine

1-[(1R)-1-(4,5-dimethoxy-2-phenylmethoxyphenyl)pent-4-enyl]piperazine (PubChem CID 171295610) has the molecular formula C24H32N2O3 and a molecular weight of 396.53 g/mol. Its IUPAC name is 1-[(1R)-1-(4,5-dimethoxy-2-phenylmethoxyphenyl)pent-4-enyl]piperazine.

Molecular Properties

Compound Name1-[(1R)-1-(4,5-dimethoxy-2-phenylmethoxyphenyl)pent-4-enyl]piperazine
PubChem CID171295610
Molecular FormulaC24H32N2O3
Molecular Weight396.53 g/mol
Exact Mass396.24
IUPAC Name1-[(1R)-1-(4,5-dimethoxy-2-phenylmethoxyphenyl)pent-4-enyl]piperazine
SMILESC=CCC[C@H](c1cc(OC)c(OC)cc1OCc1ccccc1)N1CCNCC1
InChIInChI=1S/C24H32N2O3/c1-4-5-11-21(26-14-12-25-13-15-26)20-16-23(27-2)24(28-3)17-22(20)29-18-19-9-7-6-8-10-19/h4,6-10,16-17,21,25H,1,5,11-15,18H2,2-3H3/t21-/m1/s1
InChIKeyIBGVGBVSXFFFCR-OAQYLSRUSA-N
XLogP4.20
TPSA42.96 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.53
LogP ≤ 54.20
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-[(1R)-1-(4,5-dimethoxy-2-phenylmethoxyphenyl)-3-fluoropropyl]piperazine
CID 171172771
1-[(1R)-1-(4,5-dimethoxy-2-phenylmethoxyphenyl)butyl]piperazine;dihydrochloride
CID 171295603
1-[(1R)-1-(4,5-dimethoxy-2-phenylmethoxyphenyl)-4,4,4-trifluorobutyl]piperazine
CID 171172753
1-[(1R)-1-(4,5-dimethoxy-2-phenylmethoxyphenyl)propyl]piperazine;dihydrochloride
CID 171295579
1-[(1S)-2-cyclopropyl-1-(4,5-dimethoxy-2-phenylmethoxyphenyl)ethyl]piperazine;dihydrochloride
CID 171282985
1-[(1S)-1-(4,5-dimethoxy-2-phenylmethoxyphenyl)prop-2-enyl]piperazine
CID 171282960
1-[(1R)-1-(2-fluoro-4,5-dimethoxyphenyl)pent-4-enyl]piperazine;dihydrochloride
CID 171295391
1-[(1S)-1-(4,5-dimethoxy-2-phenylmethoxyphenyl)-2-methylbutyl]piperazine
CID 171305634
1-[(1R)-1-(4,5-dimethoxy-2-phenylmethoxyphenyl)-2-methylbutyl]piperazine;dihydrochloride
CID 171304869
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-chloro-2-methoxyphenyl)pent-4-enyl]piperazine;dihydrochloride
CID 171283386

Frequently Asked Questions

What is the IUPAC name of 1-[(1R)-1-(4,5-dimethoxy-2-phenylmethoxyphenyl)pent-4-enyl]piperazine?
The IUPAC name of 1-[(1R)-1-(4,5-dimethoxy-2-phenylmethoxyphenyl)pent-4-enyl]piperazine (CID 171295610) is 1-[(1R)-1-(4,5-dimethoxy-2-phenylmethoxyphenyl)pent-4-enyl]piperazine.
What is the SMILES notation for 1-[(1R)-1-(4,5-dimethoxy-2-phenylmethoxyphenyl)pent-4-enyl]piperazine?
The canonical SMILES for 1-[(1R)-1-(4,5-dimethoxy-2-phenylmethoxyphenyl)pent-4-enyl]piperazine is C=CCC[C@H](c1cc(OC)c(OC)cc1OCc1ccccc1)N1CCNCC1.
What is the InChIKey of 1-[(1R)-1-(4,5-dimethoxy-2-phenylmethoxyphenyl)pent-4-enyl]piperazine?
The InChIKey is IBGVGBVSXFFFCR-OAQYLSRUSA-N. The full InChI is InChI=1S/C24H32N2O3/c1-4-5-11-21(26-14-12-25-13-15-26)20-16-23(27-2)24(28-3)17-22(20)29-18-19-9-7-6-8-10-19/h4,6-10,16-17,21,25H,1,5,11-15,18H2,2-3H3/t21-/m1/s1.
What are the key properties of 1-[(1R)-1-(4,5-dimethoxy-2-phenylmethoxyphenyl)pent-4-enyl]piperazine?
1-[(1R)-1-(4,5-dimethoxy-2-phenylmethoxyphenyl)pent-4-enyl]piperazine has a molecular weight of 396.53 g/mol, XLogP of 4.20, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1R)-1-(4,5-dimethoxy-2-phenylmethoxyphenyl)pent-4-enyl]piperazine is sourced from PubChem (CID 171295610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).