2-[4-[(3,5-difluorophenyl)methyl]piperazin-1-yl]-1-(furan-2-yl)ethanol;dihydrochloride

C17H22Cl2F2N2O2 — CID 71783363

IUPAC2-[4-[(3,5-difluorophenyl)methyl]piperazin-1-yl]-1-(furan-2-yl)ethanol;dihydrochloride
SMILESCl.Cl.OC(CN1CCN(Cc2cc(F)cc(F)c2)CC1)c1ccco1
InChIInChI=1S/C17H20F2N2O2.2ClH/c18-14-8-13(9-15(19)10-14)11-20-3-5-21(6-4-20)12-16(22)17-2-1-7-23-17;;/h1-2,7-10,16,22H,3-6,11-12H2;2*1H
InChIKeyGISURTADGKVWGI-UHFFFAOYSA-N
MW395.28 g/mol
LogP3.25
Rot. Bonds5

About 2-[4-[(3,5-difluorophenyl)methyl]piperazin-1-yl]-1-(furan-2-yl)ethanol;dihydrochloride

2-[4-[(3,5-difluorophenyl)methyl]piperazin-1-yl]-1-(furan-2-yl)ethanol;dihydrochloride (PubChem CID 71783363) has the molecular formula C17H22Cl2F2N2O2 and a molecular weight of 395.28 g/mol. Its IUPAC name is 2-[4-[(3,5-difluorophenyl)methyl]piperazin-1-yl]-1-(furan-2-yl)ethanol;dihydrochloride.

Molecular Properties

Compound Name2-[4-[(3,5-difluorophenyl)methyl]piperazin-1-yl]-1-(furan-2-yl)ethanol;dihydrochloride
PubChem CID71783363
Molecular FormulaC17H22Cl2F2N2O2
Molecular Weight395.28 g/mol
Exact Mass394.10
IUPAC Name2-[4-[(3,5-difluorophenyl)methyl]piperazin-1-yl]-1-(furan-2-yl)ethanol;dihydrochloride
SMILESCl.Cl.OC(CN1CCN(Cc2cc(F)cc(F)c2)CC1)c1ccco1
InChIInChI=1S/C17H20F2N2O2.2ClH/c18-14-8-13(9-15(19)10-14)11-20-3-5-21(6-4-20)12-16(22)17-2-1-7-23-17;;/h1-2,7-10,16,22H,3-6,11-12H2;2*1H
InChIKeyGISURTADGKVWGI-UHFFFAOYSA-N
XLogP3.25
TPSA39.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.28
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[4-[(3,5-difluorophenyl)methyl]piperazin-1-yl]-1-(furan-2-yl)ethanol;dihydrochloride with MolForge

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Related Compounds

2-(4-benzylpiperazin-1-yl)-1-(furan-2-yl)ethanol
CID 71683705
(1R)-2-[4-[(3,5-dimethoxyphenyl)methyl]piperazin-1-yl]-1-(furan-2-yl)ethanol
CID 97039032
1-(furan-2-yl)-2-pyrrolidin-1-ylethanol
CID 55212016
(1S)-2-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]-1-(furan-2-yl)ethanol
CID 34514470
1-(4-fluorophenyl)-2-[4-(furan-2-ylmethyl)piperazin-1-yl]ethanol
CID 110883568
[4-[2-(furan-2-yl)-2-hydroxyethyl]piperazin-1-yl]-naphthalen-2-ylmethanone;hydrochloride
CID 71783190
cyclobutyl-[4-[2-(furan-2-yl)-2-hydroxyethyl]piperazin-1-yl]methanone;hydrochloride
CID 71783234
N-benzyl-4-[2-(furan-2-yl)-2-hydroxyethyl]piperazine-1-carboxamide
CID 71783448
2-(3,4-dihydro-1H-isoquinolin-2-yl)-1-(furan-2-yl)ethanol
CID 82044560
N-ethyl-4-[2-(furan-2-yl)-2-hydroxyethyl]piperazine-1-carboxamide
CID 71783458
1-[4-[2-(furan-2-yl)-2-hydroxyethyl]piperazin-1-yl]-3-phenylprop-2-en-1-one;hydrochloride
CID 91939147
[4-[2-(furan-2-yl)-2-hydroxyethyl]piperazin-1-yl]-(4-propylthiadiazol-5-yl)methanone;hydrochloride
CID 71783165

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(3,5-difluorophenyl)methyl]piperazin-1-yl]-1-(furan-2-yl)ethanol;dihydrochloride?
The IUPAC name of 2-[4-[(3,5-difluorophenyl)methyl]piperazin-1-yl]-1-(furan-2-yl)ethanol;dihydrochloride (CID 71783363) is 2-[4-[(3,5-difluorophenyl)methyl]piperazin-1-yl]-1-(furan-2-yl)ethanol;dihydrochloride.
What is the SMILES notation for 2-[4-[(3,5-difluorophenyl)methyl]piperazin-1-yl]-1-(furan-2-yl)ethanol;dihydrochloride?
The canonical SMILES for 2-[4-[(3,5-difluorophenyl)methyl]piperazin-1-yl]-1-(furan-2-yl)ethanol;dihydrochloride is Cl.Cl.OC(CN1CCN(Cc2cc(F)cc(F)c2)CC1)c1ccco1.
What is the InChIKey of 2-[4-[(3,5-difluorophenyl)methyl]piperazin-1-yl]-1-(furan-2-yl)ethanol;dihydrochloride?
The InChIKey is GISURTADGKVWGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20F2N2O2.2ClH/c18-14-8-13(9-15(19)10-14)11-20-3-5-21(6-4-20)12-16(22)17-2-1-7-23-17;;/h1-2,7-10,16,22H,3-6,11-12H2;2*1H.
What are the key properties of 2-[4-[(3,5-difluorophenyl)methyl]piperazin-1-yl]-1-(furan-2-yl)ethanol;dihydrochloride?
2-[4-[(3,5-difluorophenyl)methyl]piperazin-1-yl]-1-(furan-2-yl)ethanol;dihydrochloride has a molecular weight of 395.28 g/mol, XLogP of 3.25, 5 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]piperazin-1-yl]-1-(furan-2-yl)ethanol;dihydrochloride is sourced from PubChem (CID 71783363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).