2-[1-(4-ethyl-3-methylpiperazin-1-yl)ethyl]-5-fluorophenol

C15H23FN2O — CID 82980035

IUPAC2-[1-(4-ethyl-3-methylpiperazin-1-yl)ethyl]-5-fluorophenol
SMILESCCN1CCN(C(C)c2ccc(F)cc2O)CC1C
InChIInChI=1S/C15H23FN2O/c1-4-17-7-8-18(10-11(17)2)12(3)14-6-5-13(16)9-15(14)19/h5-6,9,11-12,19H,4,7-8,10H2,1-3H3
InChIKeyYBODTHNIRLLZHD-UHFFFAOYSA-N
MW266.36 g/mol
LogP2.62
Rot. Bonds3

About 2-[1-(4-ethyl-3-methylpiperazin-1-yl)ethyl]-5-fluorophenol

2-[1-(4-ethyl-3-methylpiperazin-1-yl)ethyl]-5-fluorophenol (PubChem CID 82980035) has the molecular formula C15H23FN2O and a molecular weight of 266.36 g/mol. Its IUPAC name is 2-[1-(4-ethyl-3-methylpiperazin-1-yl)ethyl]-5-fluorophenol.

Molecular Properties

Compound Name2-[1-(4-ethyl-3-methylpiperazin-1-yl)ethyl]-5-fluorophenol
PubChem CID82980035
Molecular FormulaC15H23FN2O
Molecular Weight266.36 g/mol
Exact Mass266.18
IUPAC Name2-[1-(4-ethyl-3-methylpiperazin-1-yl)ethyl]-5-fluorophenol
SMILESCCN1CCN(C(C)c2ccc(F)cc2O)CC1C
InChIInChI=1S/C15H23FN2O/c1-4-17-7-8-18(10-11(17)2)12(3)14-6-5-13(16)9-15(14)19/h5-6,9,11-12,19H,4,7-8,10H2,1-3H3
InChIKeyYBODTHNIRLLZHD-UHFFFAOYSA-N
XLogP2.62
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.36
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-fluoro-2-(1-pyrrolidin-1-ylethyl)phenol
CID 82974867
2-[1-[(2S,6R)-2,6-dimethylmorpholin-4-yl]ethyl]-5-fluorophenol
CID 104961921
2-[1-(4-ethyl-4-methylpiperidin-1-yl)ethyl]-5-fluorophenol
CID 82979712
2-[1-(3,4-dimethoxypyrrolidin-1-yl)ethyl]-5-fluorophenol
CID 103542218
1-(4-ethyl-3-methylpiperazin-1-yl)-1-(4-fluorophenyl)propan-2-amine
CID 63603808
1-[2-(4-ethyl-3-methylpiperazin-1-yl)-5-fluorophenyl]ethanol
CID 55216386
5-fluoro-2-[1-(4-methyl-1,4-diazepan-1-yl)ethyl]phenol
CID 82974158
1-[1-(4-fluoro-2-hydroxyphenyl)ethyl]azetidine-3-carboxylic acid
CID 65072301
(4-ethyl-3-methylpiperazin-1-yl)-(5-fluoro-2-hydroxyphenyl)methanone
CID 115299105
2-[1-(1,1-dioxo-1,4-thiazinan-4-yl)ethyl]-5-fluorophenol
CID 82976686
2-(4-ethyl-3-methylpiperazin-1-yl)-2-(3-fluorophenyl)ethanamine
CID 63605201
(1R)-1-[2-(4-ethyl-3-methylpiperazin-1-yl)-5-fluorophenyl]ethanamine
CID 55215612

Frequently Asked Questions

What is the IUPAC name of 2-[1-(4-ethyl-3-methylpiperazin-1-yl)ethyl]-5-fluorophenol?
The IUPAC name of 2-[1-(4-ethyl-3-methylpiperazin-1-yl)ethyl]-5-fluorophenol (CID 82980035) is 2-[1-(4-ethyl-3-methylpiperazin-1-yl)ethyl]-5-fluorophenol.
What is the SMILES notation for 2-[1-(4-ethyl-3-methylpiperazin-1-yl)ethyl]-5-fluorophenol?
The canonical SMILES for 2-[1-(4-ethyl-3-methylpiperazin-1-yl)ethyl]-5-fluorophenol is CCN1CCN(C(C)c2ccc(F)cc2O)CC1C.
What is the InChIKey of 2-[1-(4-ethyl-3-methylpiperazin-1-yl)ethyl]-5-fluorophenol?
The InChIKey is YBODTHNIRLLZHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23FN2O/c1-4-17-7-8-18(10-11(17)2)12(3)14-6-5-13(16)9-15(14)19/h5-6,9,11-12,19H,4,7-8,10H2,1-3H3.
What are the key properties of 2-[1-(4-ethyl-3-methylpiperazin-1-yl)ethyl]-5-fluorophenol?
2-[1-(4-ethyl-3-methylpiperazin-1-yl)ethyl]-5-fluorophenol has a molecular weight of 266.36 g/mol, XLogP of 2.62, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(4-ethyl-3-methylpiperazin-1-yl)ethyl]-5-fluorophenol is sourced from PubChem (CID 82980035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).