2-[4-[(4-fluoro-3-methoxyphenyl)methyl]-1-(thiophen-3-ylmethyl)piperazin-2-yl]ethanol

C19H25FN2O2S — CID 45233525

IUPAC2-[4-[(4-fluoro-3-methoxyphenyl)methyl]-1-(thiophen-3-ylmethyl)piperazin-2-yl]ethanol
SMILESCOc1cc(CN2CCN(Cc3ccsc3)C(CCO)C2)ccc1F
InChIInChI=1S/C19H25FN2O2S/c1-24-19-10-15(2-3-18(19)20)11-21-6-7-22(17(13-21)4-8-23)12-16-5-9-25-14-16/h2-3,5,9-10,14,17,23H,4,6-8,11-13H2,1H3
InChIKeyZFJQHMDQSTTZKB-UHFFFAOYSA-N
MW364.49 g/mol
LogP2.96
Rot. Bonds7

About 2-[4-[(4-fluoro-3-methoxyphenyl)methyl]-1-(thiophen-3-ylmethyl)piperazin-2-yl]ethanol

2-[4-[(4-fluoro-3-methoxyphenyl)methyl]-1-(thiophen-3-ylmethyl)piperazin-2-yl]ethanol (PubChem CID 45233525) has the molecular formula C19H25FN2O2S and a molecular weight of 364.49 g/mol. Its IUPAC name is 2-[4-[(4-fluoro-3-methoxyphenyl)methyl]-1-(thiophen-3-ylmethyl)piperazin-2-yl]ethanol.

Molecular Properties

Compound Name2-[4-[(4-fluoro-3-methoxyphenyl)methyl]-1-(thiophen-3-ylmethyl)piperazin-2-yl]ethanol
PubChem CID45233525
Molecular FormulaC19H25FN2O2S
Molecular Weight364.49 g/mol
Exact Mass364.16
IUPAC Name2-[4-[(4-fluoro-3-methoxyphenyl)methyl]-1-(thiophen-3-ylmethyl)piperazin-2-yl]ethanol
SMILESCOc1cc(CN2CCN(Cc3ccsc3)C(CCO)C2)ccc1F
InChIInChI=1S/C19H25FN2O2S/c1-24-19-10-15(2-3-18(19)20)11-21-6-7-22(17(13-21)4-8-23)12-16-5-9-25-14-16/h2-3,5,9-10,14,17,23H,4,6-8,11-13H2,1H3
InChIKeyZFJQHMDQSTTZKB-UHFFFAOYSA-N
XLogP2.96
TPSA35.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.49
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[(4-fluoro-3-methoxyphenyl)methyl]-1-(thiophen-3-ylmethyl)piperazin-2-yl]ethanol?
The IUPAC name of 2-[4-[(4-fluoro-3-methoxyphenyl)methyl]-1-(thiophen-3-ylmethyl)piperazin-2-yl]ethanol (CID 45233525) is 2-[4-[(4-fluoro-3-methoxyphenyl)methyl]-1-(thiophen-3-ylmethyl)piperazin-2-yl]ethanol.
What is the SMILES notation for 2-[4-[(4-fluoro-3-methoxyphenyl)methyl]-1-(thiophen-3-ylmethyl)piperazin-2-yl]ethanol?
The canonical SMILES for 2-[4-[(4-fluoro-3-methoxyphenyl)methyl]-1-(thiophen-3-ylmethyl)piperazin-2-yl]ethanol is COc1cc(CN2CCN(Cc3ccsc3)C(CCO)C2)ccc1F.
What is the InChIKey of 2-[4-[(4-fluoro-3-methoxyphenyl)methyl]-1-(thiophen-3-ylmethyl)piperazin-2-yl]ethanol?
The InChIKey is ZFJQHMDQSTTZKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25FN2O2S/c1-24-19-10-15(2-3-18(19)20)11-21-6-7-22(17(13-21)4-8-23)12-16-5-9-25-14-16/h2-3,5,9-10,14,17,23H,4,6-8,11-13H2,1H3.
What are the key properties of 2-[4-[(4-fluoro-3-methoxyphenyl)methyl]-1-(thiophen-3-ylmethyl)piperazin-2-yl]ethanol?
2-[4-[(4-fluoro-3-methoxyphenyl)methyl]-1-(thiophen-3-ylmethyl)piperazin-2-yl]ethanol has a molecular weight of 364.49 g/mol, XLogP of 2.96, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(4-fluoro-3-methoxyphenyl)methyl]-1-(thiophen-3-ylmethyl)piperazin-2-yl]ethanol is sourced from PubChem (CID 45233525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).