1-[(1R)-1-(4,5-dimethoxy-2-phenylmethoxyphenyl)butyl]piperazine;dihydrochloride

C23H34Cl2N2O3 — CID 171295603

IUPAC1-[(1R)-1-(4,5-dimethoxy-2-phenylmethoxyphenyl)butyl]piperazine;dihydrochloride
SMILESCCC[C@H](c1cc(OC)c(OC)cc1OCc1ccccc1)N1CCNCC1.Cl.Cl
InChIInChI=1S/C23H32N2O3.2ClH/c1-4-8-20(25-13-11-24-12-14-25)19-15-22(26-2)23(27-3)16-21(19)28-17-18-9-6-5-7-10-18;;/h5-7,9-10,15-16,20,24H,4,8,11-14,17H2,1-3H3;2*1H/t20-;;/m1../s1
InChIKeyIPADAFSRLAEKDB-FAVHNTAZSA-N
MW457.44 g/mol
LogP4.87
Rot. Bonds9

About 1-[(1R)-1-(4,5-dimethoxy-2-phenylmethoxyphenyl)butyl]piperazine;dihydrochloride

1-[(1R)-1-(4,5-dimethoxy-2-phenylmethoxyphenyl)butyl]piperazine;dihydrochloride (PubChem CID 171295603) has the molecular formula C23H34Cl2N2O3 and a molecular weight of 457.44 g/mol. Its IUPAC name is 1-[(1R)-1-(4,5-dimethoxy-2-phenylmethoxyphenyl)butyl]piperazine;dihydrochloride.

Molecular Properties

Compound Name1-[(1R)-1-(4,5-dimethoxy-2-phenylmethoxyphenyl)butyl]piperazine;dihydrochloride
PubChem CID171295603
Molecular FormulaC23H34Cl2N2O3
Molecular Weight457.44 g/mol
Exact Mass456.19
IUPAC Name1-[(1R)-1-(4,5-dimethoxy-2-phenylmethoxyphenyl)butyl]piperazine;dihydrochloride
SMILESCCC[C@H](c1cc(OC)c(OC)cc1OCc1ccccc1)N1CCNCC1.Cl.Cl
InChIInChI=1S/C23H32N2O3.2ClH/c1-4-8-20(25-13-11-24-12-14-25)19-15-22(26-2)23(27-3)16-21(19)28-17-18-9-6-5-7-10-18;;/h5-7,9-10,15-16,20,24H,4,8,11-14,17H2,1-3H3;2*1H/t20-;;/m1../s1
InChIKeyIPADAFSRLAEKDB-FAVHNTAZSA-N
XLogP4.87
TPSA42.96 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.44
LogP ≤ 54.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[(1R)-1-(4,5-dimethoxy-2-phenylmethoxyphenyl)propyl]piperazine;dihydrochloride
CID 171295579
1-[(1R)-1-(4,5-dimethoxy-2-phenylmethoxyphenyl)-3-fluoropropyl]piperazine
CID 171172771
1-[(1R)-1-(4,5-dimethoxy-2-phenylmethoxyphenyl)-4,4,4-trifluorobutyl]piperazine
CID 171172753
1-[(1R)-1-(4,5-dimethoxy-2-phenylmethoxyphenyl)pent-4-enyl]piperazine
CID 171295610
1-[(1S)-2-cyclopropyl-1-(4,5-dimethoxy-2-phenylmethoxyphenyl)ethyl]piperazine;dihydrochloride
CID 171282985
1-[(1R)-1-(2-phenylmethoxyphenyl)butyl]piperazine;dihydrochloride
CID 171295565
1-[(1R)-1-(4,5-dimethoxy-2-phenylmethoxyphenyl)-2-methylbutyl]piperazine;dihydrochloride
CID 171304869
1-[(1S)-1-(4,5-dimethoxy-2-phenylmethoxyphenyl)-2-methylbutyl]piperazine
CID 171305634
1-[(1R)-1-(2-methoxyphenyl)butyl]piperazine;dihydrochloride
CID 171286917
1-[(1S)-1-(4,5-dimethoxy-2-phenylmethoxyphenyl)prop-2-enyl]piperazine
CID 171282960
1-[(1R)-1-(3-methoxy-4-phenylmethoxyphenyl)pentyl]piperazine
CID 171308355
1-[(1S)-1-(3-methoxy-4-phenylmethoxyphenyl)hexyl]piperazine
CID 171309655

Frequently Asked Questions

What is the IUPAC name of 1-[(1R)-1-(4,5-dimethoxy-2-phenylmethoxyphenyl)butyl]piperazine;dihydrochloride?
The IUPAC name of 1-[(1R)-1-(4,5-dimethoxy-2-phenylmethoxyphenyl)butyl]piperazine;dihydrochloride (CID 171295603) is 1-[(1R)-1-(4,5-dimethoxy-2-phenylmethoxyphenyl)butyl]piperazine;dihydrochloride.
What is the SMILES notation for 1-[(1R)-1-(4,5-dimethoxy-2-phenylmethoxyphenyl)butyl]piperazine;dihydrochloride?
The canonical SMILES for 1-[(1R)-1-(4,5-dimethoxy-2-phenylmethoxyphenyl)butyl]piperazine;dihydrochloride is CCC[C@H](c1cc(OC)c(OC)cc1OCc1ccccc1)N1CCNCC1.Cl.Cl.
What is the InChIKey of 1-[(1R)-1-(4,5-dimethoxy-2-phenylmethoxyphenyl)butyl]piperazine;dihydrochloride?
The InChIKey is IPADAFSRLAEKDB-FAVHNTAZSA-N. The full InChI is InChI=1S/C23H32N2O3.2ClH/c1-4-8-20(25-13-11-24-12-14-25)19-15-22(26-2)23(27-3)16-21(19)28-17-18-9-6-5-7-10-18;;/h5-7,9-10,15-16,20,24H,4,8,11-14,17H2,1-3H3;2*1H/t20-;;/m1../s1.
What are the key properties of 1-[(1R)-1-(4,5-dimethoxy-2-phenylmethoxyphenyl)butyl]piperazine;dihydrochloride?
1-[(1R)-1-(4,5-dimethoxy-2-phenylmethoxyphenyl)butyl]piperazine;dihydrochloride has a molecular weight of 457.44 g/mol, XLogP of 4.87, 9 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)butyl]piperazine;dihydrochloride is sourced from PubChem (CID 171295603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).