2-(1,4-dimethylpiperazin-2-yl)-1-(3-fluoro-4-pyridinyl)ethanol

C13H20FN3O — CID 104738104

IUPAC2-(1,4-dimethylpiperazin-2-yl)-1-(3-fluoro-4-pyridinyl)ethanol
SMILESCN1CCN(C)C(CC(O)c2ccncc2F)C1
InChIInChI=1S/C13H20FN3O/c1-16-5-6-17(2)10(9-16)7-13(18)11-3-4-15-8-12(11)14/h3-4,8,10,13,18H,5-7,9H2,1-2H3
InChIKeyYEBIUZHACHPAEE-UHFFFAOYSA-N
MW253.32 g/mol
LogP0.89
Rot. Bonds3

About 2-(1,4-dimethylpiperazin-2-yl)-1-(3-fluoro-4-pyridinyl)ethanol

2-(1,4-dimethylpiperazin-2-yl)-1-(3-fluoro-4-pyridinyl)ethanol (PubChem CID 104738104) has the molecular formula C13H20FN3O and a molecular weight of 253.32 g/mol. Its IUPAC name is 2-(1,4-dimethylpiperazin-2-yl)-1-(3-fluoro-4-pyridinyl)ethanol.

Molecular Properties

Compound Name2-(1,4-dimethylpiperazin-2-yl)-1-(3-fluoro-4-pyridinyl)ethanol
PubChem CID104738104
Molecular FormulaC13H20FN3O
Molecular Weight253.32 g/mol
Exact Mass253.16
IUPAC Name2-(1,4-dimethylpiperazin-2-yl)-1-(3-fluoro-4-pyridinyl)ethanol
SMILESCN1CCN(C)C(CC(O)c2ccncc2F)C1
InChIInChI=1S/C13H20FN3O/c1-16-5-6-17(2)10(9-16)7-13(18)11-3-4-15-8-12(11)14/h3-4,8,10,13,18H,5-7,9H2,1-2H3
InChIKeyYEBIUZHACHPAEE-UHFFFAOYSA-N
XLogP0.89
TPSA39.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.32
LogP ≤ 50.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-amino-3-pyridinyl)-2-(1,4-dimethylpiperazin-2-yl)ethanol
CID 113305466
2-(1,4-dimethylpiperazin-2-yl)-1-pyridin-3-ylethanol
CID 113305480
2-(1,4-dimethylpiperazin-2-yl)-1-(5-fluoro-2-methylphenyl)ethanol
CID 115414890
3-[1-amino-2-(1,4-dimethylpiperazin-2-yl)ethyl]pyridin-4-amine
CID 113305502
(1,4-dimethyl-1,4-diazepan-2-yl)-(3-fluoro-4-pyridinyl)methanol
CID 104738105
1-(2-amino-5-methyl-3-pyridinyl)-2-(1,4-dimethylpiperazin-2-yl)ethanol
CID 115414904
2-(1,4-dimethylpiperazin-2-yl)-1-(2-propylpyrazol-3-yl)ethanol
CID 115414903
1-(3-fluoro-4-pyridinyl)-3-methoxypropan-1-ol
CID 104737985
2-(1,4-dimethylpiperazin-2-yl)-1-thiophen-3-ylethanol
CID 115414917
1-(1,4-dimethylpiperazin-2-yl)-4-(2-methylpyrazol-3-yl)butan-2-ol
CID 103008451
1-(3-fluoro-4-pyridinyl)-2-(oxolan-2-yl)ethanol
CID 104737979
[1-(2,3-difluorophenyl)-2-(1,4-dimethylpiperazin-2-yl)ethyl]hydrazine
CID 105260157

Frequently Asked Questions

What is the IUPAC name of 2-(1,4-dimethylpiperazin-2-yl)-1-(3-fluoro-4-pyridinyl)ethanol?
The IUPAC name of 2-(1,4-dimethylpiperazin-2-yl)-1-(3-fluoro-4-pyridinyl)ethanol (CID 104738104) is 2-(1,4-dimethylpiperazin-2-yl)-1-(3-fluoro-4-pyridinyl)ethanol.
What is the SMILES notation for 2-(1,4-dimethylpiperazin-2-yl)-1-(3-fluoro-4-pyridinyl)ethanol?
The canonical SMILES for 2-(1,4-dimethylpiperazin-2-yl)-1-(3-fluoro-4-pyridinyl)ethanol is CN1CCN(C)C(CC(O)c2ccncc2F)C1.
What is the InChIKey of 2-(1,4-dimethylpiperazin-2-yl)-1-(3-fluoro-4-pyridinyl)ethanol?
The InChIKey is YEBIUZHACHPAEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20FN3O/c1-16-5-6-17(2)10(9-16)7-13(18)11-3-4-15-8-12(11)14/h3-4,8,10,13,18H,5-7,9H2,1-2H3.
What are the key properties of 2-(1,4-dimethylpiperazin-2-yl)-1-(3-fluoro-4-pyridinyl)ethanol?
2-(1,4-dimethylpiperazin-2-yl)-1-(3-fluoro-4-pyridinyl)ethanol has a molecular weight of 253.32 g/mol, XLogP of 0.89, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,4-dimethylpiperazin-2-yl)-1-(3-fluoro-4-pyridinyl)ethanol is sourced from PubChem (CID 104738104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).