2-[4-[(2,5-dimethoxyphenyl)methyl]-1-[(2-fluorophenyl)methyl]piperazin-2-yl]ethanol

C22H29FN2O3 — CID 45177655

IUPAC2-[4-[(2,5-dimethoxyphenyl)methyl]-1-[(2-fluorophenyl)methyl]piperazin-2-yl]ethanol
SMILESCOc1ccc(OC)c(CN2CCN(Cc3ccccc3F)C(CCO)C2)c1
InChIInChI=1S/C22H29FN2O3/c1-27-20-7-8-22(28-2)18(13-20)14-24-10-11-25(19(16-24)9-12-26)15-17-5-3-4-6-21(17)23/h3-8,13,19,26H,9-12,14-16H2,1-2H3
InChIKeyYUORKXZTVCVYTI-UHFFFAOYSA-N
MW388.48 g/mol
LogP2.91
Rot. Bonds8

About 2-[4-[(2,5-dimethoxyphenyl)methyl]-1-[(2-fluorophenyl)methyl]piperazin-2-yl]ethanol

2-[4-[(2,5-dimethoxyphenyl)methyl]-1-[(2-fluorophenyl)methyl]piperazin-2-yl]ethanol (PubChem CID 45177655) has the molecular formula C22H29FN2O3 and a molecular weight of 388.48 g/mol. Its IUPAC name is 2-[4-[(2,5-dimethoxyphenyl)methyl]-1-[(2-fluorophenyl)methyl]piperazin-2-yl]ethanol.

Molecular Properties

Compound Name2-[4-[(2,5-dimethoxyphenyl)methyl]-1-[(2-fluorophenyl)methyl]piperazin-2-yl]ethanol
PubChem CID45177655
Molecular FormulaC22H29FN2O3
Molecular Weight388.48 g/mol
Exact Mass388.22
IUPAC Name2-[4-[(2,5-dimethoxyphenyl)methyl]-1-[(2-fluorophenyl)methyl]piperazin-2-yl]ethanol
SMILESCOc1ccc(OC)c(CN2CCN(Cc3ccccc3F)C(CCO)C2)c1
InChIInChI=1S/C22H29FN2O3/c1-27-20-7-8-22(28-2)18(13-20)14-24-10-11-25(19(16-24)9-12-26)15-17-5-3-4-6-21(17)23/h3-8,13,19,26H,9-12,14-16H2,1-2H3
InChIKeyYUORKXZTVCVYTI-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

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[(2,5-dimethoxyphenyl)methyl]-1-[(2-fluorophenyl)methyl]piperazin-2-yl]ethanol?
The IUPAC name of 2-[4-[(2,5-dimethoxyphenyl)methyl]-1-[(2-fluorophenyl)methyl]piperazin-2-yl]ethanol (CID 45177655) is 2-[4-[(2,5-dimethoxyphenyl)methyl]-1-[(2-fluorophenyl)methyl]piperazin-2-yl]ethanol.
What is the SMILES notation for 2-[4-[(2,5-dimethoxyphenyl)methyl]-1-[(2-fluorophenyl)methyl]piperazin-2-yl]ethanol?
The canonical SMILES for 2-[4-[(2,5-dimethoxyphenyl)methyl]-1-[(2-fluorophenyl)methyl]piperazin-2-yl]ethanol is COc1ccc(OC)c(CN2CCN(Cc3ccccc3F)C(CCO)C2)c1.
What is the InChIKey of 2-[4-[(2,5-dimethoxyphenyl)methyl]-1-[(2-fluorophenyl)methyl]piperazin-2-yl]ethanol?
The InChIKey is YUORKXZTVCVYTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29FN2O3/c1-27-20-7-8-22(28-2)18(13-20)14-24-10-11-25(19(16-24)9-12-26)15-17-5-3-4-6-21(17)23/h3-8,13,19,26H,9-12,14-16H2,1-2H3.
What are the key properties of 2-[4-[(2,5-dimethoxyphenyl)methyl]-1-[(2-fluorophenyl)methyl]piperazin-2-yl]ethanol?
2-[4-[(2,5-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-[(2,5-dimethoxyphenyl)methyl]-1-[(2-fluorophenyl)methyl]piperazin-2-yl]ethanol is sourced from PubChem (CID 45177655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).