1-[(1S)-1-(4,5-dimethoxy-2-phenylmethoxyphenyl)prop-2-enyl]piperazine

C22H28N2O3 — CID 171282960

IUPAC1-[(1S)-1-(4,5-dimethoxy-2-phenylmethoxyphenyl)prop-2-enyl]piperazine
SMILESC=C[C@@H](c1cc(OC)c(OC)cc1OCc1ccccc1)N1CCNCC1
InChIInChI=1S/C22H28N2O3/c1-4-19(24-12-10-23-11-13-24)18-14-21(25-2)22(26-3)15-20(18)27-16-17-8-6-5-7-9-17/h4-9,14-15,19,23H,1,10-13,16H2,2-3H3/t19-/m0/s1
InChIKeyKZRLVDWJPGWCLG-IBGZPJMESA-N
MW368.48 g/mol
LogP3.42
Rot. Bonds8

About 1-[(1S)-1-(4,5-dimethoxy-2-phenylmethoxyphenyl)prop-2-enyl]piperazine

1-[(1S)-1-(4,5-dimethoxy-2-phenylmethoxyphenyl)prop-2-enyl]piperazine (PubChem CID 171282960) has the molecular formula C22H28N2O3 and a molecular weight of 368.48 g/mol. Its IUPAC name is 1-[(1S)-1-(4,5-dimethoxy-2-phenylmethoxyphenyl)prop-2-enyl]piperazine.

Molecular Properties

Compound Name1-[(1S)-1-(4,5-dimethoxy-2-phenylmethoxyphenyl)prop-2-enyl]piperazine
PubChem CID171282960
Molecular FormulaC22H28N2O3
Molecular Weight368.48 g/mol
Exact Mass368.21
IUPAC Name1-[(1S)-1-(4,5-dimethoxy-2-phenylmethoxyphenyl)prop-2-enyl]piperazine
SMILESC=C[C@@H](c1cc(OC)c(OC)cc1OCc1ccccc1)N1CCNCC1
InChIInChI=1S/C22H28N2O3/c1-4-19(24-12-10-23-11-13-24)18-14-21(25-2)22(26-3)15-20(18)27-16-17-8-6-5-7-9-17/h4-9,14-15,19,23H,1,10-13,16H2,2-3H3/t19-/m0/s1
InChIKeyKZRLVDWJPGWCLG-IBGZPJMESA-N
XLogP3.42
TPSA42.96 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.48
LogP ≤ 53.42
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)pent-4-enyl]piperazine
CID 171295610
1-[(1S)-1-(4-methoxy-3-phenylmethoxyphenyl)prop-2-enyl]piperazine
CID 171282129
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)-2-methylbutyl]piperazine
CID 171305634
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)-2-methylbutyl]piperazine;dihydrochloride
CID 171304869
1-[(1R)-1-(4,5-dimethoxy-2-phenylmethoxyphenyl)-4,4,4-trifluorobutyl]piperazine
CID 171172753
(3R)-3-(4,5-dimethoxy-2-phenylmethoxyphenyl)-2,2-difluoro-3-piperazin-1-ylpropan-1-ol
CID 171181184
5-phenylmethoxy-2-[(1R)-1-piperazin-1-ylprop-2-enyl]phenol;dihydrochloride
CID 171295657
1-[(1R)-1-(3-methoxy-4-phenylmethoxyphenyl)ethyl]piperazine;dihydrochloride
CID 171295691

Frequently Asked Questions

What is the IUPAC name of 1-[(1S)-1-(4,5-dimethoxy-2-phenylmethoxyphenyl)prop-2-enyl]piperazine?
The IUPAC name of 1-[(1S)-1-(4,5-dimethoxy-2-phenylmethoxyphenyl)prop-2-enyl]piperazine (CID 171282960) is 1-[(1S)-1-(4,5-dimethoxy-2-phenylmethoxyphenyl)prop-2-enyl]piperazine.
What is the SMILES notation for 1-[(1S)-1-(4,5-dimethoxy-2-phenylmethoxyphenyl)prop-2-enyl]piperazine?
The canonical SMILES for 1-[(1S)-1-(4,5-dimethoxy-2-phenylmethoxyphenyl)prop-2-enyl]piperazine is C=C[C@@H](c1cc(OC)c(OC)cc1OCc1ccccc1)N1CCNCC1.
What is the InChIKey of 1-[(1S)-1-(4,5-dimethoxy-2-phenylmethoxyphenyl)prop-2-enyl]piperazine?
The InChIKey is KZRLVDWJPGWCLG-IBGZPJMESA-N. The full InChI is InChI=1S/C22H28N2O3/c1-4-19(24-12-10-23-11-13-24)18-14-21(25-2)22(26-3)15-20(18)27-16-17-8-6-5-7-9-17/h4-9,14-15,19,23H,1,10-13,16H2,2-3H3/t19-/m0/s1.
What are the key properties of 1-[(1S)-1-(4,5-dimethoxy-2-phenylmethoxyphenyl)prop-2-enyl]piperazine?
1-[(1S)-1-(4,5-dimethoxy-2-phenylmethoxyphenyl)prop-2-enyl]piperazine has a molecular weight of 368.48 g/mol, XLogP of 3.42, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1S)-1-(4,5-dimethoxy-2-phenylmethoxyphenyl)prop-2-enyl]piperazine is sourced from PubChem (CID 171282960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).