1-[(1R)-1-(3-ethoxy-4-methoxyphenyl)butyl]piperazine

C17H28N2O2 — CID 171293533

IUPAC1-[(1R)-1-(3-ethoxy-4-methoxyphenyl)butyl]piperazine
SMILESCCC[C@H](c1ccc(OC)c(OCC)c1)N1CCNCC1
InChIInChI=1S/C17H28N2O2/c1-4-6-15(19-11-9-18-10-12-19)14-7-8-16(20-3)17(13-14)21-5-2/h7-8,13,15,18H,4-6,9-12H2,1-3H3/t15-/m1/s1
InChIKeySVZXYZWJBFIUHZ-OAHLLOKOSA-N
MW292.42 g/mol
LogP2.84
Rot. Bonds7

About 1-[(1R)-1-(3-ethoxy-4-methoxyphenyl)butyl]piperazine

1-[(1R)-1-(3-ethoxy-4-methoxyphenyl)butyl]piperazine (PubChem CID 171293533) has the molecular formula C17H28N2O2 and a molecular weight of 292.42 g/mol. Its IUPAC name is 1-[(1R)-1-(3-ethoxy-4-methoxyphenyl)butyl]piperazine.

Molecular Properties

Compound Name1-[(1R)-1-(3-ethoxy-4-methoxyphenyl)butyl]piperazine
PubChem CID171293533
Molecular FormulaC17H28N2O2
Molecular Weight292.42 g/mol
Exact Mass292.22
IUPAC Name1-[(1R)-1-(3-ethoxy-4-methoxyphenyl)butyl]piperazine
SMILESCCC[C@H](c1ccc(OC)c(OCC)c1)N1CCNCC1
InChIInChI=1S/C17H28N2O2/c1-4-6-15(19-11-9-18-10-12-19)14-7-8-16(20-3)17(13-14)21-5-2/h7-8,13,15,18H,4-6,9-12H2,1-3H3/t15-/m1/s1
InChIKeySVZXYZWJBFIUHZ-OAHLLOKOSA-N
XLogP2.84
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.42
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[1-(3-ethoxy-4-methoxyphenyl)pentyl]-1,4-diazepane
CID 3285664
1-[(1S)-1-(3-ethoxy-4-methoxyphenyl)-4,4,4-trifluorobutyl]piperazine;hydrochloride
CID 171166884
(3S)-3-(4-ethoxy-3-methoxyphenyl)-3-piperazin-1-ylpropan-1-ol
CID 171189664
1-[(1R)-1-(3-ethoxy-4-methoxyphenyl)-3,3,3-trifluoropropyl]piperazine
CID 171172220
1-[(1S)-1-(4-ethoxy-3-methoxyphenyl)-4,4,4-trifluorobutyl]piperazine
CID 171167191
1-[(1S)-1-(3,4-dimethoxyphenyl)pentyl]piperazine;dihydrochloride
CID 171308662
(3R)-3-(3-ethoxy-4-methoxyphenyl)-3-piperazin-1-ylpropanenitrile;dihydrochloride
CID 171307015
2-methoxy-5-[(1S)-1-piperazin-1-ylbutyl]phenol;dihydrochloride
CID 171273405
1-[(1S)-1-(3-ethoxy-4-methoxyphenyl)-3-methylbut-3-enyl]piperazine;dihydrochloride
CID 171280922
1-[(1S)-1-(3,4-dimethoxyphenyl)propyl]piperazine;dihydrochloride
CID 171273417
[2-methoxy-4-[(1S)-1-piperazin-1-ylbutyl]phenyl] acetate
CID 171280951
1-[(1R)-1-(3-ethoxy-4-methoxyphenyl)-2-methylbutyl]piperazine;dihydrochloride
CID 171304751

Frequently Asked Questions

What is the IUPAC name of 1-[(1R)-1-(3-ethoxy-4-methoxyphenyl)butyl]piperazine?
The IUPAC name of 1-[(1R)-1-(3-ethoxy-4-methoxyphenyl)butyl]piperazine (CID 171293533) is 1-[(1R)-1-(3-ethoxy-4-methoxyphenyl)butyl]piperazine.
What is the SMILES notation for 1-[(1R)-1-(3-ethoxy-4-methoxyphenyl)butyl]piperazine?
The canonical SMILES for 1-[(1R)-1-(3-ethoxy-4-methoxyphenyl)butyl]piperazine is CCC[C@H](c1ccc(OC)c(OCC)c1)N1CCNCC1.
What is the InChIKey of 1-[(1R)-1-(3-ethoxy-4-methoxyphenyl)butyl]piperazine?
The InChIKey is SVZXYZWJBFIUHZ-OAHLLOKOSA-N. The full InChI is InChI=1S/C17H28N2O2/c1-4-6-15(19-11-9-18-10-12-19)14-7-8-16(20-3)17(13-14)21-5-2/h7-8,13,15,18H,4-6,9-12H2,1-3H3/t15-/m1/s1.
What are the key properties of 1-[(1R)-1-(3-ethoxy-4-methoxyphenyl)butyl]piperazine?
1-[(1R)-1-(3-ethoxy-4-methoxyphenyl)butyl]piperazine has a molecular weight of 292.42 g/mol, XLogP of 2.84, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1R)-1-(3-ethoxy-4-methoxyphenyl)butyl]piperazine is sourced from PubChem (CID 171293533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).