1-[4-(difluoromethoxy)phenyl]-2-[4-(2-methoxyethyl)piperazin-1-yl]ethanol

C16H24F2N2O3 — CID 110901960

IUPAC1-[4-(difluoromethoxy)phenyl]-2-[4-(2-methoxyethyl)piperazin-1-yl]ethanol
SMILESCOCCN1CCN(CC(O)c2ccc(OC(F)F)cc2)CC1
InChIInChI=1S/C16H24F2N2O3/c1-22-11-10-19-6-8-20(9-7-19)12-15(21)13-2-4-14(5-3-13)23-16(17)18/h2-5,15-16,21H,6-12H2,1H3
InChIKeyBILNIGMVXMNKFU-UHFFFAOYSA-N
MW330.38 g/mol
LogP1.59
Rot. Bonds8

About 1-[4-(difluoromethoxy)phenyl]-2-[4-(2-methoxyethyl)piperazin-1-yl]ethanol

1-[4-(difluoromethoxy)phenyl]-2-[4-(2-methoxyethyl)piperazin-1-yl]ethanol (PubChem CID 110901960) has the molecular formula C16H24F2N2O3 and a molecular weight of 330.38 g/mol. Its IUPAC name is 1-[4-(difluoromethoxy)phenyl]-2-[4-(2-methoxyethyl)piperazin-1-yl]ethanol.

Molecular Properties

Compound Name1-[4-(difluoromethoxy)phenyl]-2-[4-(2-methoxyethyl)piperazin-1-yl]ethanol
PubChem CID110901960
Molecular FormulaC16H24F2N2O3
Molecular Weight330.38 g/mol
Exact Mass330.18
IUPAC Name1-[4-(difluoromethoxy)phenyl]-2-[4-(2-methoxyethyl)piperazin-1-yl]ethanol
SMILESCOCCN1CCN(CC(O)c2ccc(OC(F)F)cc2)CC1
InChIInChI=1S/C16H24F2N2O3/c1-22-11-10-19-6-8-20(9-7-19)12-15(21)13-2-4-14(5-3-13)23-16(17)18/h2-5,15-16,21H,6-12H2,1H3
InChIKeyBILNIGMVXMNKFU-UHFFFAOYSA-N
XLogP1.59
TPSA45.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.38
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-[(5-bromothiophen-2-yl)methyl]piperazin-1-yl]-1-[4-(difluoromethoxy)phenyl]ethanol
CID 55988693
1-[1-[4-(difluoromethoxy)phenyl]ethyl]-4-(2-ethoxyethyl)piperazine
CID 86894996
1-(4-methoxyphenyl)-2-(4-propan-2-ylpiperazin-1-yl)ethanol
CID 60971064
2-[4-[1-[4-(difluoromethoxy)phenyl]ethyl]piperazin-1-yl]ethanol
CID 47520543
2-(azepan-1-yl)-1-(4-methoxyphenyl)ethanol
CID 54944635
tert-butyl N-[1-[2-[4-(difluoromethoxy)phenyl]-2-hydroxyethyl]piperidin-4-yl]carbamate
CID 55989113
(1S)-1-[4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]propan-1-ol
CID 82891639
2-(aziridin-1-yl)-1-(4-methylphenyl)ethanol
CID 82125221
2-[4-(2,2-difluoroethyl)piperazin-1-yl]-1-(4-fluorophenyl)ethanol
CID 110910508
(1S)-1-(4-chlorophenyl)-2-(4-propylpiperazin-1-yl)ethanol
CID 95299218
(1S)-1-[4-(2-pyrrolidin-1-ylethoxy)phenyl]propan-1-ol
CID 78933445
(1S)-2-[4-(2-fluorophenyl)piperazin-1-yl]-1-(4-methoxyphenyl)ethanol
CID 7036660

Frequently Asked Questions

What is the IUPAC name of 1-[4-(difluoromethoxy)phenyl]-2-[4-(2-methoxyethyl)piperazin-1-yl]ethanol?
The IUPAC name of 1-[4-(difluoromethoxy)phenyl]-2-[4-(2-methoxyethyl)piperazin-1-yl]ethanol (CID 110901960) is 1-[4-(difluoromethoxy)phenyl]-2-[4-(2-methoxyethyl)piperazin-1-yl]ethanol.
What is the SMILES notation for 1-[4-(difluoromethoxy)phenyl]-2-[4-(2-methoxyethyl)piperazin-1-yl]ethanol?
The canonical SMILES for 1-[4-(difluoromethoxy)phenyl]-2-[4-(2-methoxyethyl)piperazin-1-yl]ethanol is COCCN1CCN(CC(O)c2ccc(OC(F)F)cc2)CC1.
What is the InChIKey of 1-[4-(difluoromethoxy)phenyl]-2-[4-(2-methoxyethyl)piperazin-1-yl]ethanol?
The InChIKey is BILNIGMVXMNKFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24F2N2O3/c1-22-11-10-19-6-8-20(9-7-19)12-15(21)13-2-4-14(5-3-13)23-16(17)18/h2-5,15-16,21H,6-12H2,1H3.
What are the key properties of 1-[4-(difluoromethoxy)phenyl]-2-[4-(2-methoxyethyl)piperazin-1-yl]ethanol?
1-[4-(difluoromethoxy)phenyl]-2-[4-(2-methoxyethyl)piperazin-1-yl]ethanol has a molecular weight of 330.38 g/mol, XLogP of 1.59, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(difluoromethoxy)phenyl]-2-[4-(2-methoxyethyl)piperazin-1-yl]ethanol is sourced from PubChem (CID 110901960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).