2-[4-[[5-(3-chlorophenyl)furan-2-yl]methyl]-1-methylpiperazin-2-yl]ethanol

C18H23ClN2O2 — CID 45190547

IUPAC2-[4-[[5-(3-chlorophenyl)furan-2-yl]methyl]-1-methylpiperazin-2-yl]ethanol
SMILESCN1CCN(Cc2ccc(-c3cccc(Cl)c3)o2)CC1CCO
InChIInChI=1S/C18H23ClN2O2/c1-20-8-9-21(12-16(20)7-10-22)13-17-5-6-18(23-17)14-3-2-4-15(19)11-14/h2-6,11,16,22H,7-10,12-13H2,1H3
InChIKeyGHZDIHIOVHHDEW-UHFFFAOYSA-N
MW334.85 g/mol
LogP3.10
Rot. Bonds5

About 2-[4-[[5-(3-chlorophenyl)furan-2-yl]methyl]-1-methylpiperazin-2-yl]ethanol

2-[4-[[5-(3-chlorophenyl)furan-2-yl]methyl]-1-methylpiperazin-2-yl]ethanol (PubChem CID 45190547) has the molecular formula C18H23ClN2O2 and a molecular weight of 334.85 g/mol. Its IUPAC name is 2-[4-[[5-(3-chlorophenyl)furan-2-yl]methyl]-1-methylpiperazin-2-yl]ethanol.

Molecular Properties

Compound Name2-[4-[[5-(3-chlorophenyl)furan-2-yl]methyl]-1-methylpiperazin-2-yl]ethanol
PubChem CID45190547
Molecular FormulaC18H23ClN2O2
Molecular Weight334.85 g/mol
Exact Mass334.14
IUPAC Name2-[4-[[5-(3-chlorophenyl)furan-2-yl]methyl]-1-methylpiperazin-2-yl]ethanol
SMILESCN1CCN(Cc2ccc(-c3cccc(Cl)c3)o2)CC1CCO
InChIInChI=1S/C18H23ClN2O2/c1-20-8-9-21(12-16(20)7-10-22)13-17-5-6-18(23-17)14-3-2-4-15(19)11-14/h2-6,11,16,22H,7-10,12-13H2,1H3
InChIKeyGHZDIHIOVHHDEW-UHFFFAOYSA-N
XLogP3.10
TPSA39.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.85
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(2R)-4-[[5-(2-chlorophenyl)furan-2-yl]methyl]-1-methylpiperazin-2-yl]ethanol
CID 98575794
[(2R)-4-[(5-chlorofuran-2-yl)methyl]-1-methylpiperazin-2-yl]methanol
CID 99933061
[(3S,4S)-1-[[5-(3-chlorophenyl)furan-2-yl]methyl]-4-(pyrrolidin-1-ylmethyl)pyrrolidin-3-yl]methanol
CID 133134001
2-[(2S)-4-[(2-chloro-6-fluorophenyl)methyl]-1-methylpiperazin-2-yl]ethanol
CID 92770253
2-[(2R)-4-[(6-chloro-1,3-benzodioxol-5-yl)methyl]-1-methylpiperazin-2-yl]ethanol
CID 98576071
2-[(2S)-1-methyl-4-[(2-phenyl-1,3-thiazol-5-yl)methyl]piperazin-2-yl]ethanol
CID 92764625
2-[4-[2-(3-chlorophenyl)ethyl]-1-methylpiperazin-2-yl]ethanol;bis(2,2,2-trifluoroacetic acid)
CID 171321187
N-[(3aS,5R,6R,7aR)-2-[[5-(3-chlorophenyl)furan-2-yl]methyl]-6-hydroxy-1,3,3a,4,5,6,7,7a-octahydroisoindol-5-yl]acetamide
CID 172668333
2-[(2R)-4-[[5-(4-chlorophenyl)-1H-pyrazol-4-yl]methyl]-1-methylpiperazin-2-yl]ethanol
CID 98589178
2-[1-methyl-4-[[4-(trifluoromethyl)phenyl]methyl]piperazin-2-yl]ethanol
CID 45213559
2-[1-methyl-4-[(4-phenylmethoxyphenyl)methyl]piperazin-2-yl]ethanol
CID 45220474
2-[(2S)-4-[(5-methoxy-2-methyl-3-phenyl-1-benzofuran-6-yl)methyl]-1-methylpiperazin-2-yl]ethanol
CID 51633509

Frequently Asked Questions

What is the IUPAC name of 2-[4-[[5-(3-chlorophenyl)furan-2-yl]methyl]-1-methylpiperazin-2-yl]ethanol?
The IUPAC name of 2-[4-[[5-(3-chlorophenyl)furan-2-yl]methyl]-1-methylpiperazin-2-yl]ethanol (CID 45190547) is 2-[4-[[5-(3-chlorophenyl)furan-2-yl]methyl]-1-methylpiperazin-2-yl]ethanol.
What is the SMILES notation for 2-[4-[[5-(3-chlorophenyl)furan-2-yl]methyl]-1-methylpiperazin-2-yl]ethanol?
The canonical SMILES for 2-[4-[[5-(3-chlorophenyl)furan-2-yl]methyl]-1-methylpiperazin-2-yl]ethanol is CN1CCN(Cc2ccc(-c3cccc(Cl)c3)o2)CC1CCO.
What is the InChIKey of 2-[4-[[5-(3-chlorophenyl)furan-2-yl]methyl]-1-methylpiperazin-2-yl]ethanol?
The InChIKey is GHZDIHIOVHHDEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23ClN2O2/c1-20-8-9-21(12-16(20)7-10-22)13-17-5-6-18(23-17)14-3-2-4-15(19)11-14/h2-6,11,16,22H,7-10,12-13H2,1H3.
What are the key properties of 2-[4-[[5-(3-chlorophenyl)furan-2-yl]methyl]-1-methylpiperazin-2-yl]ethanol?
2-[4-[[5-(3-chlorophenyl)furan-2-yl]methyl]-1-methylpiperazin-2-yl]ethanol has a molecular weight of 334.85 g/mol, XLogP of 3.10, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[5-(3-chlorophenyl)furan-2-yl]methyl]-1-methylpiperazin-2-yl]ethanol is sourced from PubChem (CID 45190547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).