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

C15H23FN2O — CID 55216386

IUPAC1-[2-(4-ethyl-3-methylpiperazin-1-yl)-5-fluorophenyl]ethanol
SMILESCCN1CCN(c2ccc(F)cc2C(C)O)CC1C
InChIInChI=1S/C15H23FN2O/c1-4-17-7-8-18(10-11(17)2)15-6-5-13(16)9-14(15)12(3)19/h5-6,9,11-12,19H,4,7-8,10H2,1-3H3
InChIKeyJELQQNGDKMRQCT-UHFFFAOYSA-N
MW266.36 g/mol
LogP2.41
Rot. Bonds3

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

1-[2-(4-ethyl-3-methylpiperazin-1-yl)-5-fluorophenyl]ethanol (PubChem CID 55216386) has the molecular formula C15H23FN2O and a molecular weight of 266.36 g/mol. Its IUPAC name is 1-[2-(4-ethyl-3-methylpiperazin-1-yl)-5-fluorophenyl]ethanol.

Molecular Properties

Compound Name1-[2-(4-ethyl-3-methylpiperazin-1-yl)-5-fluorophenyl]ethanol
PubChem CID55216386
Molecular FormulaC15H23FN2O
Molecular Weight266.36 g/mol
Exact Mass266.18
IUPAC Name1-[2-(4-ethyl-3-methylpiperazin-1-yl)-5-fluorophenyl]ethanol
SMILESCCN1CCN(c2ccc(F)cc2C(C)O)CC1C
InChIInChI=1S/C15H23FN2O/c1-4-17-7-8-18(10-11(17)2)15-6-5-13(16)9-14(15)12(3)19/h5-6,9,11-12,19H,4,7-8,10H2,1-3H3
InChIKeyJELQQNGDKMRQCT-UHFFFAOYSA-N
XLogP2.41
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 ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(1R)-1-[2-(4-ethyl-3-methylpiperazin-1-yl)-5-fluorophenyl]ethanamine
CID 55215612
1-[5-bromo-2-(4-ethyl-3-methylpiperazin-1-yl)phenyl]ethanol
CID 82970507
2-(4-ethyl-3-methylpiperazin-1-yl)-5-fluoroaniline
CID 63610820
1-[5-fluoro-2-(3-methylpyrrolidin-1-yl)phenyl]ethanol
CID 61226994
(1S)-1-[5-fluoro-2-(3-methylpiperidin-1-yl)phenyl]ethanol
CID 78939196
(1R)-1-[3-bromo-4-(4-ethyl-3-methylpiperazin-1-yl)phenyl]ethanol
CID 55216775
1-[5-fluoro-2-[3-(hydroxymethyl)pyrrolidin-1-yl]phenyl]ethanol
CID 112626307
1-[5-fluoro-2-[3-(2-hydroxyethyl)piperidin-1-yl]phenyl]ethanol
CID 107227955
(1R)-1-[5-fluoro-2-(2-methyl-1,4-oxazepan-4-yl)phenyl]ethanol
CID 63371801
N-[[2-(4-ethyl-3-methylpiperazin-1-yl)-5-fluorophenyl]methyl]cyclopropanamine
CID 63634984
2-[1-(4-ethyl-3-methylpiperazin-1-yl)ethyl]-5-fluorophenol
CID 82980035
(1R)-1-[2-[4-(dimethylamino)piperidin-1-yl]-5-fluorophenyl]ethanol
CID 55184659

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-ethyl-3-methylpiperazin-1-yl)-5-fluorophenyl]ethanol?
The IUPAC name of 1-[2-(4-ethyl-3-methylpiperazin-1-yl)-5-fluorophenyl]ethanol (CID 55216386) is 1-[2-(4-ethyl-3-methylpiperazin-1-yl)-5-fluorophenyl]ethanol.
What is the SMILES notation for 1-[2-(4-ethyl-3-methylpiperazin-1-yl)-5-fluorophenyl]ethanol?
The canonical SMILES for 1-[2-(4-ethyl-3-methylpiperazin-1-yl)-5-fluorophenyl]ethanol is CCN1CCN(c2ccc(F)cc2C(C)O)CC1C.
What is the InChIKey of 1-[2-(4-ethyl-3-methylpiperazin-1-yl)-5-fluorophenyl]ethanol?
The InChIKey is JELQQNGDKMRQCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23FN2O/c1-4-17-7-8-18(10-11(17)2)15-6-5-13(16)9-14(15)12(3)19/h5-6,9,11-12,19H,4,7-8,10H2,1-3H3.
What are the key properties of 1-[2-(4-ethyl-3-methylpiperazin-1-yl)-5-fluorophenyl]ethanol?
1-[2-(4-ethyl-3-methylpiperazin-1-yl)-5-fluorophenyl]ethanol has a molecular weight of 266.36 g/mol, XLogP of 2.41, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-ethyl-3-methylpiperazin-1-yl)-5-fluorophenyl]ethanol is sourced from PubChem (CID 55216386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).