1-[(1R)-1-(4-methoxyphenyl)ethyl]piperazine

C13H20N2O — CID 7047764

IUPAC1-[(1R)-1-(4-methoxyphenyl)ethyl]piperazine
SMILESCOc1ccc([C@@H](C)N2CCNCC2)cc1
InChIInChI=1S/C13H20N2O/c1-11(15-9-7-14-8-10-15)12-3-5-13(16-2)6-4-12/h3-6,11,14H,7-10H2,1-2H3/t11-/m1/s1
InChIKeyNUEIIUPFZALIBH-LLVKDONJSA-N
MW220.32 g/mol
LogP1.66
Rot. Bonds3

About 1-[(1R)-1-(4-methoxyphenyl)ethyl]piperazine

1-[(1R)-1-(4-methoxyphenyl)ethyl]piperazine (PubChem CID 7047764) has the molecular formula C13H20N2O and a molecular weight of 220.32 g/mol. Its IUPAC name is 1-[(1R)-1-(4-methoxyphenyl)ethyl]piperazine.

Molecular Properties

Compound Name1-[(1R)-1-(4-methoxyphenyl)ethyl]piperazine
PubChem CID7047764
Molecular FormulaC13H20N2O
Molecular Weight220.32 g/mol
Exact Mass220.16
IUPAC Name1-[(1R)-1-(4-methoxyphenyl)ethyl]piperazine
SMILESCOc1ccc([C@@H](C)N2CCNCC2)cc1
InChIInChI=1S/C13H20N2O/c1-11(15-9-7-14-8-10-15)12-3-5-13(16-2)6-4-12/h3-6,11,14H,7-10H2,1-2H3/t11-/m1/s1
InChIKeyNUEIIUPFZALIBH-LLVKDONJSA-N
XLogP1.66
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.32
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(1R)-1-(6-methoxynaphthalen-2-yl)ethyl]piperazine
CID 171286074
1-[1-[1-(4-methoxyphenyl)ethyl]azetidin-3-yl]piperazine
CID 66203957
1-(azetidin-3-yl)-4-[1-(4-methoxyphenyl)ethyl]piperazine
CID 66202895
1-[(4-methoxyphenyl)-(4-propan-2-ylphenyl)methyl]piperazine
CID 3987731
(4-methoxyphenyl)-piperazin-1-ylmethanamine
CID 116939730
1-[(1R)-1-(4-ethoxyphenyl)ethyl]piperazine;dihydrochloride
CID 171287082
1-[(1R)-1-(3,4-dimethoxyphenyl)ethyl]piperazine
CID 28798624
1-[(1S)-2-fluoro-1-(4-methoxyphenyl)ethyl]piperazine
CID 171181751
1-[(1S)-2,2-difluoro-1-(4-methoxyphenyl)ethyl]piperazine
CID 171287219
1-[1-(4-methoxyphenyl)propyl]piperazine
CID 3971378
1-[(S)-(4-methoxyphenyl)-phenylmethyl]piperazine
CID 7047760
1-[(1S)-2-fluoro-1-(4-methoxyphenyl)ethyl]piperazine;hydrochloride
CID 171181752

Frequently Asked Questions

What is the IUPAC name of 1-[(1R)-1-(4-methoxyphenyl)ethyl]piperazine?
The IUPAC name of 1-[(1R)-1-(4-methoxyphenyl)ethyl]piperazine (CID 7047764) is 1-[(1R)-1-(4-methoxyphenyl)ethyl]piperazine.
What is the SMILES notation for 1-[(1R)-1-(4-methoxyphenyl)ethyl]piperazine?
The canonical SMILES for 1-[(1R)-1-(4-methoxyphenyl)ethyl]piperazine is COc1ccc([C@@H](C)N2CCNCC2)cc1.
What is the InChIKey of 1-[(1R)-1-(4-methoxyphenyl)ethyl]piperazine?
The InChIKey is NUEIIUPFZALIBH-LLVKDONJSA-N. The full InChI is InChI=1S/C13H20N2O/c1-11(15-9-7-14-8-10-15)12-3-5-13(16-2)6-4-12/h3-6,11,14H,7-10H2,1-2H3/t11-/m1/s1.
What are the key properties of 1-[(1R)-1-(4-methoxyphenyl)ethyl]piperazine?
1-[(1R)-1-(4-methoxyphenyl)ethyl]piperazine has a molecular weight of 220.32 g/mol, XLogP of 1.66, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1R)-1-(4-methoxyphenyl)ethyl]piperazine is sourced from PubChem (CID 7047764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).