1-[(1R)-1-(3-methoxy-4-phenylmethoxyphenyl)ethyl]piperazine;dihydrochloride

C20H28Cl2N2O2 — CID 171295691

IUPAC1-[(1R)-1-(3-methoxy-4-phenylmethoxyphenyl)ethyl]piperazine;dihydrochloride
SMILESCOc1cc([C@@H](C)N2CCNCC2)ccc1OCc1ccccc1.Cl.Cl
InChIInChI=1S/C20H26N2O2.2ClH/c1-16(22-12-10-21-11-13-22)18-8-9-19(20(14-18)23-2)24-15-17-6-4-3-5-7-17;;/h3-9,14,16,21H,10-13,15H2,1-2H3;2*1H/t16-;;/m1../s1
InChIKeyRAYRKPHGHJBHJN-GGMCWBHBSA-N
MW399.36 g/mol
LogP4.08
Rot. Bonds6

About 1-[(1R)-1-(3-methoxy-4-phenylmethoxyphenyl)ethyl]piperazine;dihydrochloride

1-[(1R)-1-(3-methoxy-4-phenylmethoxyphenyl)ethyl]piperazine;dihydrochloride (PubChem CID 171295691) has the molecular formula C20H28Cl2N2O2 and a molecular weight of 399.36 g/mol. Its IUPAC name is 1-[(1R)-1-(3-methoxy-4-phenylmethoxyphenyl)ethyl]piperazine;dihydrochloride.

Molecular Properties

Compound Name1-[(1R)-1-(3-methoxy-4-phenylmethoxyphenyl)ethyl]piperazine;dihydrochloride
PubChem CID171295691
Molecular FormulaC20H28Cl2N2O2
Molecular Weight399.36 g/mol
Exact Mass398.15
IUPAC Name1-[(1R)-1-(3-methoxy-4-phenylmethoxyphenyl)ethyl]piperazine;dihydrochloride
SMILESCOc1cc([C@@H](C)N2CCNCC2)ccc1OCc1ccccc1.Cl.Cl
InChIInChI=1S/C20H26N2O2.2ClH/c1-16(22-12-10-21-11-13-22)18-8-9-19(20(14-18)23-2)24-15-17-6-4-3-5-7-17;;/h3-9,14,16,21H,10-13,15H2,1-2H3;2*1H/t16-;;/m1../s1
InChIKeyRAYRKPHGHJBHJN-GGMCWBHBSA-N
XLogP4.08
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.36
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-2-(3-methoxy-4-phenylmethoxyphenyl)-2-piperazin-1-ylethanol;hydrochloride
CID 171183658
1-[(1R)-3-fluoro-1-(3-methoxy-4-phenylmethoxyphenyl)propyl]piperazine
CID 171172841
1-[(1R)-2,2,2-trifluoro-1-(3-methoxy-4-phenylmethoxyphenyl)ethyl]piperazine
CID 171181228
1-[(1R)-1-(3,4-dimethoxyphenyl)ethyl]piperazine
CID 28798624
1-[(1R)-1-(4-methoxy-3-phenylmethoxyphenyl)-2-methylbutyl]piperazine
CID 171304822
1-[(1R)-1-(3-methoxy-4-phenylmethoxyphenyl)pentyl]piperazine
CID 171308355
1-[(1S)-1-(3-methoxy-4-phenylmethoxyphenyl)hexyl]piperazine
CID 171309655
3-methoxy-4-[[4-(1-piperazin-1-ylethyl)phenyl]methoxy]benzaldehyde
CID 88545957
(2S)-2-(4-methoxy-3-phenylmethoxyphenyl)-2-piperazin-1-ylethanol
CID 171183197
1-[(1S)-1-(4-methoxy-3-phenylmethoxyphenyl)prop-2-enyl]piperazine
CID 171282129
1-[(1S)-1-(3-ethoxy-4-phenylmethoxyphenyl)-2-methylbutyl]piperazine;dihydrochloride
CID 171305499
1-[(1R)-1-(4,5-dimethoxy-2-phenylmethoxyphenyl)-2-methylbutyl]piperazine;dihydrochloride
CID 171304869

Frequently Asked Questions

What is the IUPAC name of 1-[(1R)-1-(3-methoxy-4-phenylmethoxyphenyl)ethyl]piperazine;dihydrochloride?
The IUPAC name of 1-[(1R)-1-(3-methoxy-4-phenylmethoxyphenyl)ethyl]piperazine;dihydrochloride (CID 171295691) is 1-[(1R)-1-(3-methoxy-4-phenylmethoxyphenyl)ethyl]piperazine;dihydrochloride.
What is the SMILES notation for 1-[(1R)-1-(3-methoxy-4-phenylmethoxyphenyl)ethyl]piperazine;dihydrochloride?
The canonical SMILES for 1-[(1R)-1-(3-methoxy-4-phenylmethoxyphenyl)ethyl]piperazine;dihydrochloride is COc1cc([C@@H](C)N2CCNCC2)ccc1OCc1ccccc1.Cl.Cl.
What is the InChIKey of 1-[(1R)-1-(3-methoxy-4-phenylmethoxyphenyl)ethyl]piperazine;dihydrochloride?
The InChIKey is RAYRKPHGHJBHJN-GGMCWBHBSA-N. The full InChI is InChI=1S/C20H26N2O2.2ClH/c1-16(22-12-10-21-11-13-22)18-8-9-19(20(14-18)23-2)24-15-17-6-4-3-5-7-17;;/h3-9,14,16,21H,10-13,15H2,1-2H3;2*1H/t16-;;/m1../s1.
What are the key properties of 1-[(1R)-1-(3-methoxy-4-phenylmethoxyphenyl)ethyl]piperazine;dihydrochloride?
1-[(1R)-1-(3-methoxy-4-phenylmethoxyphenyl)ethyl]piperazine;dihydrochloride has a molecular weight of 399.36 g/mol, XLogP of 4.08, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1R)-1-(3-methoxy-4-phenylmethoxyphenyl)ethyl]piperazine;dihydrochloride is sourced from PubChem (CID 171295691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).