2-[4-[(3,5-difluorophenyl)methyl]-1-(thiophen-2-ylmethyl)piperazin-2-yl]ethanol

C18H22F2N2OS — CID 45171016

IUPAC2-[4-[(3,5-difluorophenyl)methyl]-1-(thiophen-2-ylmethyl)piperazin-2-yl]ethanol
SMILESOCCC1CN(Cc2cc(F)cc(F)c2)CCN1Cc1cccs1
InChIInChI=1S/C18H22F2N2OS/c19-15-8-14(9-16(20)10-15)11-21-4-5-22(17(12-21)3-6-23)13-18-2-1-7-24-18/h1-2,7-10,17,23H,3-6,11-13H2
InChIKeyYSZTZHMVMISJTJ-UHFFFAOYSA-N
MW352.45 g/mol
LogP3.10
Rot. Bonds6

About 2-[4-[(3,5-difluorophenyl)methyl]-1-(thiophen-2-ylmethyl)piperazin-2-yl]ethanol

2-[4-[(3,5-difluorophenyl)methyl]-1-(thiophen-2-ylmethyl)piperazin-2-yl]ethanol (PubChem CID 45171016) has the molecular formula C18H22F2N2OS and a molecular weight of 352.45 g/mol. Its IUPAC name is 2-[4-[(3,5-difluorophenyl)methyl]-1-(thiophen-2-ylmethyl)piperazin-2-yl]ethanol.

Molecular Properties

Compound Name2-[4-[(3,5-difluorophenyl)methyl]-1-(thiophen-2-ylmethyl)piperazin-2-yl]ethanol
PubChem CID45171016
Molecular FormulaC18H22F2N2OS
Molecular Weight352.45 g/mol
Exact Mass352.14
IUPAC Name2-[4-[(3,5-difluorophenyl)methyl]-1-(thiophen-2-ylmethyl)piperazin-2-yl]ethanol
SMILESOCCC1CN(Cc2cc(F)cc(F)c2)CCN1Cc1cccs1
InChIInChI=1S/C18H22F2N2OS/c19-15-8-14(9-16(20)10-15)11-21-4-5-22(17(12-21)3-6-23)13-18-2-1-7-24-18/h1-2,7-10,17,23H,3-6,11-13H2
InChIKeyYSZTZHMVMISJTJ-UHFFFAOYSA-N
XLogP3.10
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.45
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[(3,5-difluorophenyl)methyl]-1-(thiophen-2-ylmethyl)piperazin-2-yl]ethanol?
The IUPAC name of 2-[4-[(3,5-difluorophenyl)methyl]-1-(thiophen-2-ylmethyl)piperazin-2-yl]ethanol (CID 45171016) is 2-[4-[(3,5-difluorophenyl)methyl]-1-(thiophen-2-ylmethyl)piperazin-2-yl]ethanol.
What is the SMILES notation for 2-[4-[(3,5-difluorophenyl)methyl]-1-(thiophen-2-ylmethyl)piperazin-2-yl]ethanol?
The canonical SMILES for 2-[4-[(3,5-difluorophenyl)methyl]-1-(thiophen-2-ylmethyl)piperazin-2-yl]ethanol is OCCC1CN(Cc2cc(F)cc(F)c2)CCN1Cc1cccs1.
What is the InChIKey of 2-[4-[(3,5-difluorophenyl)methyl]-1-(thiophen-2-ylmethyl)piperazin-2-yl]ethanol?
The InChIKey is YSZTZHMVMISJTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22F2N2OS/c19-15-8-14(9-16(20)10-15)11-21-4-5-22(17(12-21)3-6-23)13-18-2-1-7-24-18/h1-2,7-10,17,23H,3-6,11-13H2.
What are the key properties of 2-[4-[(3,5-difluorophenyl)methyl]-1-(thiophen-2-ylmethyl)piperazin-2-yl]ethanol?
2-[4-[(3,5-difluorophenyl)methyl]-1-(thiophen-2-ylmethyl)piperazin-2-yl]ethanol has a molecular weight of 352.45 g/mol, XLogP of 3.10, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(3,5-difluorophenyl)methyl]-1-(thiophen-2-ylmethyl)piperazin-2-yl]ethanol is sourced from PubChem (CID 45171016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).