2-[4-[(2,3-dimethoxyphenyl)methyl]-1-[(2-fluorophenyl)methyl]piperazin-2-yl]ethanol

C22H29FN2O3 — CID 45193918

IUPAC2-[4-[(2,3-dimethoxyphenyl)methyl]-1-[(2-fluorophenyl)methyl]piperazin-2-yl]ethanol
SMILESCOc1cccc(CN2CCN(Cc3ccccc3F)C(CCO)C2)c1OC
InChIInChI=1S/C22H29FN2O3/c1-27-21-9-5-7-18(22(21)28-2)14-24-11-12-25(19(16-24)10-13-26)15-17-6-3-4-8-20(17)23/h3-9,19,26H,10-16H2,1-2H3
InChIKeyAGZFTFLZHJEWAH-UHFFFAOYSA-N
MW388.48 g/mol
LogP2.91
Rot. Bonds8

About 2-[4-[(2,3-dimethoxyphenyl)methyl]-1-[(2-fluorophenyl)methyl]piperazin-2-yl]ethanol

2-[4-[(2,3-dimethoxyphenyl)methyl]-1-[(2-fluorophenyl)methyl]piperazin-2-yl]ethanol (PubChem CID 45193918) has the molecular formula C22H29FN2O3 and a molecular weight of 388.48 g/mol. Its IUPAC name is 2-[4-[(2,3-dimethoxyphenyl)methyl]-1-[(2-fluorophenyl)methyl]piperazin-2-yl]ethanol.

Molecular Properties

Compound Name2-[4-[(2,3-dimethoxyphenyl)methyl]-1-[(2-fluorophenyl)methyl]piperazin-2-yl]ethanol
PubChem CID45193918
Molecular FormulaC22H29FN2O3
Molecular Weight388.48 g/mol
Exact Mass388.22
IUPAC Name2-[4-[(2,3-dimethoxyphenyl)methyl]-1-[(2-fluorophenyl)methyl]piperazin-2-yl]ethanol
SMILESCOc1cccc(CN2CCN(Cc3ccccc3F)C(CCO)C2)c1OC
InChIInChI=1S/C22H29FN2O3/c1-27-21-9-5-7-18(22(21)28-2)14-24-11-12-25(19(16-24)10-13-26)15-17-6-3-4-8-20(17)23/h3-9,19,26H,10-16H2,1-2H3
InChIKeyAGZFTFLZHJEWAH-UHFFFAOYSA-N
XLogP2.91
TPSA45.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.48
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[4-[(2,3-dimethoxyphenyl)methyl]-1-[(2-fluorophenyl)methyl]piperazin-2-yl]ethanol with MolForge

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

Launch Full Analysis

Related Compounds

2-[4-[(2,3-dimethoxyphenyl)methyl]-1-[(2-ethoxyphenyl)methyl]piperazin-2-yl]ethanol
CID 45190546
2-[4-[(2,3-dimethoxyphenyl)methyl]-1-(3-methylbutyl)piperazin-2-yl]ethanol
CID 45201049
2-[[(3R)-4-[(2-fluorophenyl)methyl]-3-(2-hydroxyethyl)piperazin-1-yl]methyl]-5-methoxyphenol
CID 51909759
2-[(2S)-4-[(2,3-dimethoxyphenyl)methyl]-1-(3-phenylpropyl)piperazin-2-yl]ethanol
CID 29212312
1-[(2,3-dimethoxyphenyl)methyl]-4-[(2-fluorophenyl)methyl]piperazine
CID 770198
2-[4-[(2-fluorophenyl)methyl]-1-[(3-methoxyphenyl)methyl]piperazin-2-yl]ethanol
CID 45195244
2-[(2R)-1-[(3,5-dimethoxyphenyl)methyl]-4-[(2-fluorophenyl)methyl]piperazin-2-yl]ethanol
CID 98587642
2-[(2S)-1-[(3,5-dimethoxyphenyl)methyl]-4-[(2-fluorophenyl)methyl]piperazin-2-yl]ethanol
CID 51634610
2-[(2R)-1-[(4-methoxy-2,3-dimethylphenyl)methyl]-4-[(2-methoxyphenyl)methyl]piperazin-2-yl]ethanol
CID 98586008
2-[(2R)-4-[(2,5-difluorophenyl)methyl]-1-[(4-methoxy-2,3-dimethylphenyl)methyl]piperazin-2-yl]ethanol
CID 98576694
2-[4-[(2,5-difluorophenyl)methyl]-1-[(4-methoxy-2,3-dimethylphenyl)methyl]piperazin-2-yl]ethanol
CID 45207850
2-[(2S)-1-[(2-fluorophenyl)methyl]-4-[(1-methylindol-3-yl)methyl]piperazin-2-yl]ethanol
CID 29021714

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(2,3-dimethoxyphenyl)methyl]-1-[(2-fluorophenyl)methyl]piperazin-2-yl]ethanol?
The IUPAC name of 2-[4-[(2,3-dimethoxyphenyl)methyl]-1-[(2-fluorophenyl)methyl]piperazin-2-yl]ethanol (CID 45193918) is 2-[4-[(2,3-dimethoxyphenyl)methyl]-1-[(2-fluorophenyl)methyl]piperazin-2-yl]ethanol.
What is the SMILES notation for 2-[4-[(2,3-dimethoxyphenyl)methyl]-1-[(2-fluorophenyl)methyl]piperazin-2-yl]ethanol?
The canonical SMILES for 2-[4-[(2,3-dimethoxyphenyl)methyl]-1-[(2-fluorophenyl)methyl]piperazin-2-yl]ethanol is COc1cccc(CN2CCN(Cc3ccccc3F)C(CCO)C2)c1OC.
What is the InChIKey of 2-[4-[(2,3-dimethoxyphenyl)methyl]-1-[(2-fluorophenyl)methyl]piperazin-2-yl]ethanol?
The InChIKey is AGZFTFLZHJEWAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29FN2O3/c1-27-21-9-5-7-18(22(21)28-2)14-24-11-12-25(19(16-24)10-13-26)15-17-6-3-4-8-20(17)23/h3-9,19,26H,10-16H2,1-2H3.
What are the key properties of 2-[4-[(2,3-dimethoxyphenyl)methyl]-1-[(2-fluorophenyl)methyl]piperazin-2-yl]ethanol?
2-[4-[(2,3-dimethoxyphenyl)methyl]-1-[(2-fluorophenyl)methyl]piperazin-2-yl]ethanol has a molecular weight of 388.48 g/mol, XLogP of 2.91, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(2,3-dimethoxyphenyl)methyl]-1-[(2-fluorophenyl)methyl]piperazin-2-yl]ethanol is sourced from PubChem (CID 45193918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).