1-[4-(4-ethylpiperazin-1-yl)-3,5-difluorophenyl]ethanol

C14H20F2N2O — CID 118656623

IUPAC1-[4-(4-ethylpiperazin-1-yl)-3,5-difluorophenyl]ethanol
SMILESCCN1CCN(c2c(F)cc(C(C)O)cc2F)CC1
InChIInChI=1S/C14H20F2N2O/c1-3-17-4-6-18(7-5-17)14-12(15)8-11(10(2)19)9-13(14)16/h8-10,19H,3-7H2,1-2H3
InChIKeyOMAMCQBHLBUCDV-UHFFFAOYSA-N
MW270.32 g/mol
LogP2.16
Rot. Bonds3

About 1-[4-(4-ethylpiperazin-1-yl)-3,5-difluorophenyl]ethanol

1-[4-(4-ethylpiperazin-1-yl)-3,5-difluorophenyl]ethanol (PubChem CID 118656623) has the molecular formula C14H20F2N2O and a molecular weight of 270.32 g/mol. Its IUPAC name is 1-[4-(4-ethylpiperazin-1-yl)-3,5-difluorophenyl]ethanol.

Molecular Properties

Compound Name1-[4-(4-ethylpiperazin-1-yl)-3,5-difluorophenyl]ethanol
PubChem CID118656623
Molecular FormulaC14H20F2N2O
Molecular Weight270.32 g/mol
Exact Mass270.15
IUPAC Name1-[4-(4-ethylpiperazin-1-yl)-3,5-difluorophenyl]ethanol
SMILESCCN1CCN(c2c(F)cc(C(C)O)cc2F)CC1
InChIInChI=1S/C14H20F2N2O/c1-3-17-4-6-18(7-5-17)14-12(15)8-11(10(2)19)9-13(14)16/h8-10,19H,3-7H2,1-2H3
InChIKeyOMAMCQBHLBUCDV-UHFFFAOYSA-N
XLogP2.16
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.32
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}

Analyze 1-[4-(4-ethylpiperazin-1-yl)-3,5-difluorophenyl]ethanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[4-(4-ethylpiperazin-1-yl)-3,5-difluorophenyl]ethanol?
The IUPAC name of 1-[4-(4-ethylpiperazin-1-yl)-3,5-difluorophenyl]ethanol (CID 118656623) is 1-[4-(4-ethylpiperazin-1-yl)-3,5-difluorophenyl]ethanol.
What is the SMILES notation for 1-[4-(4-ethylpiperazin-1-yl)-3,5-difluorophenyl]ethanol?
The canonical SMILES for 1-[4-(4-ethylpiperazin-1-yl)-3,5-difluorophenyl]ethanol is CCN1CCN(c2c(F)cc(C(C)O)cc2F)CC1.
What is the InChIKey of 1-[4-(4-ethylpiperazin-1-yl)-3,5-difluorophenyl]ethanol?
The InChIKey is OMAMCQBHLBUCDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20F2N2O/c1-3-17-4-6-18(7-5-17)14-12(15)8-11(10(2)19)9-13(14)16/h8-10,19H,3-7H2,1-2H3.
What are the key properties of 1-[4-(4-ethylpiperazin-1-yl)-3,5-difluorophenyl]ethanol?
1-[4-(4-ethylpiperazin-1-yl)-3,5-difluorophenyl]ethanol has a molecular weight of 270.32 g/mol, XLogP of 2.16, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4-ethylpiperazin-1-yl)-3,5-difluorophenyl]ethanol is sourced from PubChem (CID 118656623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).