1-[4-(3-ethoxyphenyl)butan-2-yl]piperazine

C16H26N2O — CID 112519407

IUPAC1-[4-(3-ethoxyphenyl)butan-2-yl]piperazine
SMILESCCOc1cccc(CCC(C)N2CCNCC2)c1
InChIInChI=1S/C16H26N2O/c1-3-19-16-6-4-5-15(13-16)8-7-14(2)18-11-9-17-10-12-18/h4-6,13-14,17H,3,7-12H2,1-2H3
InChIKeyGFVHBKKPDOOAFJ-UHFFFAOYSA-N
MW262.40 g/mol
LogP2.31
Rot. Bonds6

About 1-[4-(3-ethoxyphenyl)butan-2-yl]piperazine

1-[4-(3-ethoxyphenyl)butan-2-yl]piperazine (PubChem CID 112519407) has the molecular formula C16H26N2O and a molecular weight of 262.40 g/mol. Its IUPAC name is 1-[4-(3-ethoxyphenyl)butan-2-yl]piperazine.

Molecular Properties

Compound Name1-[4-(3-ethoxyphenyl)butan-2-yl]piperazine
PubChem CID112519407
Molecular FormulaC16H26N2O
Molecular Weight262.40 g/mol
Exact Mass262.20
IUPAC Name1-[4-(3-ethoxyphenyl)butan-2-yl]piperazine
SMILESCCOc1cccc(CCC(C)N2CCNCC2)c1
InChIInChI=1S/C16H26N2O/c1-3-19-16-6-4-5-15(13-16)8-7-14(2)18-11-9-17-10-12-18/h4-6,13-14,17H,3,7-12H2,1-2H3
InChIKeyGFVHBKKPDOOAFJ-UHFFFAOYSA-N
XLogP2.31
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.40
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-4-(3-ethoxyphenyl)butan-2-amine
CID 94920485
(2R)-4-(3-ethoxyphenyl)butan-2-ol
CID 94920388
1-[4-(4-propylphenyl)butan-2-yl]piperazine
CID 116931952
1-[(1S)-1-(3-ethoxyphenyl)butyl]piperazine
CID 171277911
1-[(1R)-1-(3-ethoxyphenyl)-2,2,2-trifluoroethyl]piperazine
CID 171179653
1-(3-ethoxyphenyl)piperazine
CID 14519634
(2R)-2-(3-ethoxyphenyl)-2-piperazin-1-ylethanol
CID 93471023
1-[(1S)-1-(3-ethoxyphenyl)-4,4,4-trifluorobutyl]piperazine
CID 171164818
2-amino-5-(3-piperazin-1-ylbutyl)benzenethiol
CID 116998469
1-[(1R)-1-(3-ethoxyphenyl)hexyl]piperazine;dihydrochloride
CID 171307836
1-[(3-ethoxyphenyl)-(4-methoxyphenyl)methyl]piperazine
CID 3289491
1-[4-(2-fluorophenyl)butan-2-yl]piperazine
CID 82044268

Frequently Asked Questions

What is the IUPAC name of 1-[4-(3-ethoxyphenyl)butan-2-yl]piperazine?
The IUPAC name of 1-[4-(3-ethoxyphenyl)butan-2-yl]piperazine (CID 112519407) is 1-[4-(3-ethoxyphenyl)butan-2-yl]piperazine.
What is the SMILES notation for 1-[4-(3-ethoxyphenyl)butan-2-yl]piperazine?
The canonical SMILES for 1-[4-(3-ethoxyphenyl)butan-2-yl]piperazine is CCOc1cccc(CCC(C)N2CCNCC2)c1.
What is the InChIKey of 1-[4-(3-ethoxyphenyl)butan-2-yl]piperazine?
The InChIKey is GFVHBKKPDOOAFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O/c1-3-19-16-6-4-5-15(13-16)8-7-14(2)18-11-9-17-10-12-18/h4-6,13-14,17H,3,7-12H2,1-2H3.
What are the key properties of 1-[4-(3-ethoxyphenyl)butan-2-yl]piperazine?
1-[4-(3-ethoxyphenyl)butan-2-yl]piperazine has a molecular weight of 262.40 g/mol, XLogP of 2.31, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(3-ethoxyphenyl)butan-2-yl]piperazine is sourced from PubChem (CID 112519407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).