1-[(1R)-1-(3,4-dimethoxyphenyl)ethyl]piperazine

C14H22N2O2 — CID 28798624

IUPAC1-[(1R)-1-(3,4-dimethoxyphenyl)ethyl]piperazine
SMILESCOc1ccc([C@@H](C)N2CCNCC2)cc1OC
InChIInChI=1S/C14H22N2O2/c1-11(16-8-6-15-7-9-16)12-4-5-13(17-2)14(10-12)18-3/h4-5,10-11,15H,6-9H2,1-3H3/t11-/m1/s1
InChIKeyLLIXNMSGKYIHJY-LLVKDONJSA-N
MW250.34 g/mol
LogP1.67
Rot. Bonds4

About 1-[(1R)-1-(3,4-dimethoxyphenyl)ethyl]piperazine

1-[(1R)-1-(3,4-dimethoxyphenyl)ethyl]piperazine (PubChem CID 28798624) has the molecular formula C14H22N2O2 and a molecular weight of 250.34 g/mol. Its IUPAC name is 1-[(1R)-1-(3,4-dimethoxyphenyl)ethyl]piperazine.

Molecular Properties

Compound Name1-[(1R)-1-(3,4-dimethoxyphenyl)ethyl]piperazine
PubChem CID28798624
Molecular FormulaC14H22N2O2
Molecular Weight250.34 g/mol
Exact Mass250.17
IUPAC Name1-[(1R)-1-(3,4-dimethoxyphenyl)ethyl]piperazine
SMILESCOc1ccc([C@@H](C)N2CCNCC2)cc1OC
InChIInChI=1S/C14H22N2O2/c1-11(16-8-6-15-7-9-16)12-4-5-13(17-2)14(10-12)18-3/h4-5,10-11,15H,6-9H2,1-3H3/t11-/m1/s1
InChIKeyLLIXNMSGKYIHJY-LLVKDONJSA-N
XLogP1.67
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(1S)-1-(4-chloro-3-methoxyphenyl)ethyl]piperazine
CID 171281064
1-[(1R)-1-(3-fluoro-4-methoxyphenyl)ethyl]piperazine;hydrochloride
CID 171168811
2-methoxy-4-[(1R)-1-piperazin-1-ylethyl]phenol;dihydrochloride
CID 171288751
1-[(1R)-1-(3-methoxy-4-phenylmethoxyphenyl)ethyl]piperazine;dihydrochloride
CID 171295691
1-[1-(3,4-dimethoxyphenyl)ethyl]piperidin-4-one
CID 82024193
1-[(1S)-1-(3,4-dimethoxyphenyl)propyl]piperazine;dihydrochloride
CID 171273417
1-[(1R)-1-(2-methoxy-5-propan-2-ylphenyl)ethyl]piperazine;dihydrochloride
CID 171296852
1-[(3,4-dimethoxyphenyl)-(4-methoxyphenyl)methyl]piperazine
CID 3766847
1-[(1R)-1-(6-methoxynaphthalen-2-yl)ethyl]piperazine
CID 171286074
1-[(1R)-1-(4-methoxyphenyl)ethyl]piperazine
CID 7047764
(2R)-2-(3,4-dimethoxyphenyl)-2-piperazin-1-ylethanol;hydrochloride
CID 171183326
1-[(1R)-1-(3,4-dimethoxyphenyl)-2,2,2-trifluoroethyl]piperazine;hydrochloride
CID 171178506

Frequently Asked Questions

What is the IUPAC name of 1-[(1R)-1-(3,4-dimethoxyphenyl)ethyl]piperazine?
The IUPAC name of 1-[(1R)-1-(3,4-dimethoxyphenyl)ethyl]piperazine (CID 28798624) is 1-[(1R)-1-(3,4-dimethoxyphenyl)ethyl]piperazine.
What is the SMILES notation for 1-[(1R)-1-(3,4-dimethoxyphenyl)ethyl]piperazine?
The canonical SMILES for 1-[(1R)-1-(3,4-dimethoxyphenyl)ethyl]piperazine is COc1ccc([C@@H](C)N2CCNCC2)cc1OC.
What is the InChIKey of 1-[(1R)-1-(3,4-dimethoxyphenyl)ethyl]piperazine?
The InChIKey is LLIXNMSGKYIHJY-LLVKDONJSA-N. The full InChI is InChI=1S/C14H22N2O2/c1-11(16-8-6-15-7-9-16)12-4-5-13(17-2)14(10-12)18-3/h4-5,10-11,15H,6-9H2,1-3H3/t11-/m1/s1.
What are the key properties of 1-[(1R)-1-(3,4-dimethoxyphenyl)ethyl]piperazine?
1-[(1R)-1-(3,4-dimethoxyphenyl)ethyl]piperazine has a molecular weight of 250.34 g/mol, XLogP of 1.67, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1R)-1-(3,4-dimethoxyphenyl)ethyl]piperazine is sourced from PubChem (CID 28798624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).