4-[[4-[2-(dimethylamino)ethyl]piperazin-1-yl]methyl]-2-fluorophenol

C15H24FN3O — CID 107694036

IUPAC4-[[4-[2-(dimethylamino)ethyl]piperazin-1-yl]methyl]-2-fluorophenol
SMILESCN(C)CCN1CCN(Cc2ccc(O)c(F)c2)CC1
InChIInChI=1S/C15H24FN3O/c1-17(2)5-6-18-7-9-19(10-8-18)12-13-3-4-15(20)14(16)11-13/h3-4,11,20H,5-10,12H2,1-2H3
InChIKeyATXFTORFWKQYHC-UHFFFAOYSA-N
MW281.38 g/mol
LogP1.21
Rot. Bonds5

About 4-[[4-[2-(dimethylamino)ethyl]piperazin-1-yl]methyl]-2-fluorophenol

4-[[4-[2-(dimethylamino)ethyl]piperazin-1-yl]methyl]-2-fluorophenol (PubChem CID 107694036) has the molecular formula C15H24FN3O and a molecular weight of 281.38 g/mol. Its IUPAC name is 4-[[4-[2-(dimethylamino)ethyl]piperazin-1-yl]methyl]-2-fluorophenol.

Molecular Properties

Compound Name4-[[4-[2-(dimethylamino)ethyl]piperazin-1-yl]methyl]-2-fluorophenol
PubChem CID107694036
Molecular FormulaC15H24FN3O
Molecular Weight281.38 g/mol
Exact Mass281.19
IUPAC Name4-[[4-[2-(dimethylamino)ethyl]piperazin-1-yl]methyl]-2-fluorophenol
SMILESCN(C)CCN1CCN(Cc2ccc(O)c(F)c2)CC1
InChIInChI=1S/C15H24FN3O/c1-17(2)5-6-18-7-9-19(10-8-18)12-13-3-4-15(20)14(16)11-13/h3-4,11,20H,5-10,12H2,1-2H3
InChIKeyATXFTORFWKQYHC-UHFFFAOYSA-N
XLogP1.21
TPSA29.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.38
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(azepan-1-ylmethyl)-2-fluorophenol
CID 107693924
2-[4-(2,3-dihydro-1H-isoindol-5-ylmethyl)piperazin-1-yl]-N,N-dimethylethanamine
CID 103998261
2-[4-[(4-iodophenyl)methyl]piperazin-1-yl]-N,N-dimethylethanamine
CID 65490706
2-[4-[[3-(aminomethyl)phenyl]methyl]piperazin-1-yl]-N,N-dimethylethanamine
CID 62886075
2-[4-[(3-bromophenyl)methyl]piperazin-1-yl]-N,N-dimethylethanamine
CID 60691696
2-fluoro-4-[(4-propylpiperidin-1-yl)methyl]phenol
CID 107694032
2-fluoro-4-(1,4-oxazepan-4-ylmethyl)phenol
CID 107694057
5-[[4-[2-(dimethylamino)ethyl]piperazin-1-yl]methyl]-2-methoxyaniline
CID 62886240
4-[[4-[(3,4-dihydroxyphenyl)methyl]piperazin-1-yl]methyl]benzene-1,2-diol
CID 10381970
4-[[4-[2-(dimethylamino)ethyl]piperazin-1-yl]methyl]pyridin-2-amine
CID 62889539
4-[[4-[2-(dimethylamino)ethyl]piperazin-1-yl]methyl]pyridine-2-carbothioamide
CID 63883270
2-fluoro-4-[(3-methylpiperidin-1-yl)methyl]phenol
CID 107693923

Frequently Asked Questions

What is the IUPAC name of 4-[[4-[2-(dimethylamino)ethyl]piperazin-1-yl]methyl]-2-fluorophenol?
The IUPAC name of 4-[[4-[2-(dimethylamino)ethyl]piperazin-1-yl]methyl]-2-fluorophenol (CID 107694036) is 4-[[4-[2-(dimethylamino)ethyl]piperazin-1-yl]methyl]-2-fluorophenol.
What is the SMILES notation for 4-[[4-[2-(dimethylamino)ethyl]piperazin-1-yl]methyl]-2-fluorophenol?
The canonical SMILES for 4-[[4-[2-(dimethylamino)ethyl]piperazin-1-yl]methyl]-2-fluorophenol is CN(C)CCN1CCN(Cc2ccc(O)c(F)c2)CC1.
What is the InChIKey of 4-[[4-[2-(dimethylamino)ethyl]piperazin-1-yl]methyl]-2-fluorophenol?
The InChIKey is ATXFTORFWKQYHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24FN3O/c1-17(2)5-6-18-7-9-19(10-8-18)12-13-3-4-15(20)14(16)11-13/h3-4,11,20H,5-10,12H2,1-2H3.
What are the key properties of 4-[[4-[2-(dimethylamino)ethyl]piperazin-1-yl]methyl]-2-fluorophenol?
4-[[4-[2-(dimethylamino)ethyl]piperazin-1-yl]methyl]-2-fluorophenol has a molecular weight of 281.38 g/mol, XLogP of 1.21, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-[2-(dimethylamino)ethyl]piperazin-1-yl]methyl]-2-fluorophenol is sourced from PubChem (CID 107694036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).