2-ethyl-6-(1-piperazin-1-ylethyl)phenol

C14H22N2O — CID 83896226

IUPAC2-ethyl-6-(1-piperazin-1-ylethyl)phenol
SMILESCCc1cccc(C(C)N2CCNCC2)c1O
InChIInChI=1S/C14H22N2O/c1-3-12-5-4-6-13(14(12)17)11(2)16-9-7-15-8-10-16/h4-6,11,15,17H,3,7-10H2,1-2H3
InChIKeyAEQRKNIDQMOMOQ-UHFFFAOYSA-N
MW234.34 g/mol
LogP1.92
Rot. Bonds3

About 2-ethyl-6-(1-piperazin-1-ylethyl)phenol

2-ethyl-6-(1-piperazin-1-ylethyl)phenol (PubChem CID 83896226) has the molecular formula C14H22N2O and a molecular weight of 234.34 g/mol. Its IUPAC name is 2-ethyl-6-(1-piperazin-1-ylethyl)phenol.

Molecular Properties

Compound Name2-ethyl-6-(1-piperazin-1-ylethyl)phenol
PubChem CID83896226
Molecular FormulaC14H22N2O
Molecular Weight234.34 g/mol
Exact Mass234.17
IUPAC Name2-ethyl-6-(1-piperazin-1-ylethyl)phenol
SMILESCCc1cccc(C(C)N2CCNCC2)c1O
InChIInChI=1S/C14H22N2O/c1-3-12-5-4-6-13(14(12)17)11(2)16-9-7-15-8-10-16/h4-6,11,15,17H,3,7-10H2,1-2H3
InChIKeyAEQRKNIDQMOMOQ-UHFFFAOYSA-N
XLogP1.92
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 51.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Related Compounds

2-ethyl-6-[(1S)-1-piperazin-1-ylpropyl]phenol;dihydrochloride
CID 171298318
2-bromo-6-[(1S)-1-piperazin-1-ylethyl]phenol
CID 131473200
1-[(1R)-1-[2-fluoro-3-(trifluoromethyl)phenyl]ethyl]piperazine;hydrochloride
CID 171170943
3-[(1S)-2-methyl-1-piperazin-1-ylbutyl]benzene-1,2-diol
CID 171305124
2-[4-(1-piperazin-1-ylethyl)phenyl]propan-2-ol
CID 117109305
1-[(1S)-1-(2-ethoxyphenyl)ethyl]piperazine;dihydrochloride
CID 171275548
3-[(1R)-2-methyl-1-piperazin-1-ylbutyl]benzene-1,2-diol;dihydrochloride
CID 171304359
1-[(1S)-1-(2-methylphenyl)ethyl]piperazine;dihydrochloride
CID 171280303
1-[(1S)-1-(2,3-dichlorophenyl)ethyl]piperazine;dihydrochloride
CID 171277279
2-chloro-3-fluoro-6-[(1S)-1-piperazin-1-ylethyl]phenol
CID 171297795
3-[(1R)-1-piperazin-1-ylbutyl]benzene-1,2-diol
CID 171287329
2-methyl-6-[(1S)-2-methyl-1-piperazin-1-ylbutyl]phenol
CID 171305570

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-6-(1-piperazin-1-ylethyl)phenol?
The IUPAC name of 2-ethyl-6-(1-piperazin-1-ylethyl)phenol (CID 83896226) is 2-ethyl-6-(1-piperazin-1-ylethyl)phenol.
What is the SMILES notation for 2-ethyl-6-(1-piperazin-1-ylethyl)phenol?
The canonical SMILES for 2-ethyl-6-(1-piperazin-1-ylethyl)phenol is CCc1cccc(C(C)N2CCNCC2)c1O.
What is the InChIKey of 2-ethyl-6-(1-piperazin-1-ylethyl)phenol?
The InChIKey is AEQRKNIDQMOMOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O/c1-3-12-5-4-6-13(14(12)17)11(2)16-9-7-15-8-10-16/h4-6,11,15,17H,3,7-10H2,1-2H3.
What are the key properties of 2-ethyl-6-(1-piperazin-1-ylethyl)phenol?
2-ethyl-6-(1-piperazin-1-ylethyl)phenol has a molecular weight of 234.34 g/mol, XLogP of 1.92, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-6-(1-piperazin-1-ylethyl)phenol is sourced from PubChem (CID 83896226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).