2-fluoro-4-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]phenol

C18H21FN2O2 — CID 18403742

IUPAC2-fluoro-4-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]phenol
SMILESCOc1ccccc1N1CCN(Cc2ccc(O)c(F)c2)CC1
InChIInChI=1S/C18H21FN2O2/c1-23-18-5-3-2-4-16(18)21-10-8-20(9-11-21)13-14-6-7-17(22)15(19)12-14/h2-7,12,22H,8-11,13H2,1H3
InChIKeyNBEQSAMSIJOYEG-UHFFFAOYSA-N
MW316.38 g/mol
LogP2.86
Rot. Bonds4

About 2-fluoro-4-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]phenol

2-fluoro-4-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]phenol (PubChem CID 18403742) has the molecular formula C18H21FN2O2 and a molecular weight of 316.38 g/mol. Its IUPAC name is 2-fluoro-4-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]phenol.

Molecular Properties

Compound Name2-fluoro-4-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]phenol
PubChem CID18403742
Molecular FormulaC18H21FN2O2
Molecular Weight316.38 g/mol
Exact Mass316.16
IUPAC Name2-fluoro-4-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]phenol
SMILESCOc1ccccc1N1CCN(Cc2ccc(O)c(F)c2)CC1
InChIInChI=1S/C18H21FN2O2/c1-23-18-5-3-2-4-16(18)21-10-8-20(9-11-21)13-14-6-7-17(22)15(19)12-14/h2-7,12,22H,8-11,13H2,1H3
InChIKeyNBEQSAMSIJOYEG-UHFFFAOYSA-N
XLogP2.86
TPSA35.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.38
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-fluoro-4-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]phenol 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 2-fluoro-4-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]phenol?
The IUPAC name of 2-fluoro-4-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]phenol (CID 18403742) is 2-fluoro-4-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]phenol.
What is the SMILES notation for 2-fluoro-4-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]phenol?
The canonical SMILES for 2-fluoro-4-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]phenol is COc1ccccc1N1CCN(Cc2ccc(O)c(F)c2)CC1.
What is the InChIKey of 2-fluoro-4-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]phenol?
The InChIKey is NBEQSAMSIJOYEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21FN2O2/c1-23-18-5-3-2-4-16(18)21-10-8-20(9-11-21)13-14-6-7-17(22)15(19)12-14/h2-7,12,22H,8-11,13H2,1H3.
What are the key properties of 2-fluoro-4-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]phenol?
2-fluoro-4-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]phenol has a molecular weight of 316.38 g/mol, XLogP of 2.86, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-4-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]phenol is sourced from PubChem (CID 18403742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).