2-[4-[(2-fluoro-5-methoxyphenyl)methyl]-1-(2-phenylethyl)piperazin-2-yl]ethanol

C22H29FN2O2 — CID 23723543

IUPAC2-[4-[(2-fluoro-5-methoxyphenyl)methyl]-1-(2-phenylethyl)piperazin-2-yl]ethanol
SMILESCOc1ccc(F)c(CN2CCN(CCc3ccccc3)C(CCO)C2)c1
InChIInChI=1S/C22H29FN2O2/c1-27-21-7-8-22(23)19(15-21)16-24-12-13-25(20(17-24)10-14-26)11-9-18-5-3-2-4-6-18/h2-8,15,20,26H,9-14,16-17H2,1H3
InChIKeyQKFSUBCLCGFCLI-UHFFFAOYSA-N
MW372.48 g/mol
LogP2.95
Rot. Bonds8

About 2-[4-[(2-fluoro-5-methoxyphenyl)methyl]-1-(2-phenylethyl)piperazin-2-yl]ethanol

2-[4-[(2-fluoro-5-methoxyphenyl)methyl]-1-(2-phenylethyl)piperazin-2-yl]ethanol (PubChem CID 23723543) has the molecular formula C22H29FN2O2 and a molecular weight of 372.48 g/mol. Its IUPAC name is 2-[4-[(2-fluoro-5-methoxyphenyl)methyl]-1-(2-phenylethyl)piperazin-2-yl]ethanol.

Molecular Properties

Compound Name2-[4-[(2-fluoro-5-methoxyphenyl)methyl]-1-(2-phenylethyl)piperazin-2-yl]ethanol
PubChem CID23723543
Molecular FormulaC22H29FN2O2
Molecular Weight372.48 g/mol
Exact Mass372.22
IUPAC Name2-[4-[(2-fluoro-5-methoxyphenyl)methyl]-1-(2-phenylethyl)piperazin-2-yl]ethanol
SMILESCOc1ccc(F)c(CN2CCN(CCc3ccccc3)C(CCO)C2)c1
InChIInChI=1S/C22H29FN2O2/c1-27-21-7-8-22(23)19(15-21)16-24-12-13-25(20(17-24)10-14-26)11-9-18-5-3-2-4-6-18/h2-8,15,20,26H,9-14,16-17H2,1H3
InChIKeyQKFSUBCLCGFCLI-UHFFFAOYSA-N
XLogP2.95
TPSA35.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.48
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[4-[(2-fluoro-5-methoxyphenyl)methyl]-1-(2-phenylethyl)piperazin-2-yl]ethanol with MolForge

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Related Compounds

CP-122721
CID 9821217
2-(2-(4-(3-Phenoxybenzyl)piperazin-1-yl)ethoxy)ethanol
CID 11688990
1-(3-Methoxybenzyl)-4-(3-phenylpropyl)piperazine
CID 751070
(2S,3S)-N-[(5-fluoro-2-methoxyphenyl)methyl]-2-phenylpiperidin-3-amine
CID 10495476
1-(1-(3-Methoxyphenyl)cyclohexyl)piperidine
CID 11778080
2-{1-(4-ethoxybenzyl)-4-[(2E)-3-(4-methoxyphenyl)-2-propen-1-yl]-2-piperazinyl}ethanol
CID 16188705
1-Benzhydryl-4-(3-methoxyphenyl)piperidin-4-ol
CID 44430018
1-Benzyl-4-(3-methoxybenzyl)piperazine
CID 763622
4-(4-Fluorophenyl)-1-(3-methoxybenzyl)-1,2,3,6-tetrahydropyridine
CID 756476
3-{[3-(2-Hydroxyethyl)-4-(2-phenylethyl)piperazin-1-yl]methyl}phenol
CID 16187733
2-{[3-(2-Hydroxyethyl)-4-(2-phenylethyl)piperazin-1-yl]methyl}-4-methoxyphenol
CID 16188059
2-[4-(3,4-Dimethoxybenzyl)-1-(4-methylbenzyl)-2-piperazinyl]ethanol
CID 16188933

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(2-fluoro-5-methoxyphenyl)methyl]-1-(2-phenylethyl)piperazin-2-yl]ethanol?
The IUPAC name of 2-[4-[(2-fluoro-5-methoxyphenyl)methyl]-1-(2-phenylethyl)piperazin-2-yl]ethanol (CID 23723543) is 2-[4-[(2-fluoro-5-methoxyphenyl)methyl]-1-(2-phenylethyl)piperazin-2-yl]ethanol.
What is the SMILES notation for 2-[4-[(2-fluoro-5-methoxyphenyl)methyl]-1-(2-phenylethyl)piperazin-2-yl]ethanol?
The canonical SMILES for 2-[4-[(2-fluoro-5-methoxyphenyl)methyl]-1-(2-phenylethyl)piperazin-2-yl]ethanol is COc1ccc(F)c(CN2CCN(CCc3ccccc3)C(CCO)C2)c1.
What is the InChIKey of 2-[4-[(2-fluoro-5-methoxyphenyl)methyl]-1-(2-phenylethyl)piperazin-2-yl]ethanol?
The InChIKey is QKFSUBCLCGFCLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29FN2O2/c1-27-21-7-8-22(23)19(15-21)16-24-12-13-25(20(17-24)10-14-26)11-9-18-5-3-2-4-6-18/h2-8,15,20,26H,9-14,16-17H2,1H3.
What are the key properties of 2-[4-[(2-fluoro-5-methoxyphenyl)methyl]-1-(2-phenylethyl)piperazin-2-yl]ethanol?
2-[4-[(2-fluoro-5-methoxyphenyl)methyl]-1-(2-phenylethyl)piperazin-2-yl]ethanol has a molecular weight of 372.48 g/mol, XLogP of 2.95, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(2-fluoro-5-methoxyphenyl)methyl]-1-(2-phenylethyl)piperazin-2-yl]ethanol is sourced from PubChem (CID 23723543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).