(2-fluoro-4-hydroxyphenyl)-(3,4,5-trimethylpiperazin-1-yl)methanone

C14H19FN2O2 — CID 104873399

IUPAC(2-fluoro-4-hydroxyphenyl)-(3,4,5-trimethylpiperazin-1-yl)methanone
SMILESCC1CN(C(=O)c2ccc(O)cc2F)CC(C)N1C
InChIInChI=1S/C14H19FN2O2/c1-9-7-17(8-10(2)16(9)3)14(19)12-5-4-11(18)6-13(12)15/h4-6,9-10,18H,7-8H2,1-3H3
InChIKeyUJCNAZYDQGILHB-UHFFFAOYSA-N
MW266.32 g/mol
LogP1.70
Rot. Bonds1

About (2-fluoro-4-hydroxyphenyl)-(3,4,5-trimethylpiperazin-1-yl)methanone

(2-fluoro-4-hydroxyphenyl)-(3,4,5-trimethylpiperazin-1-yl)methanone (PubChem CID 104873399) has the molecular formula C14H19FN2O2 and a molecular weight of 266.32 g/mol. Its IUPAC name is (2-fluoro-4-hydroxyphenyl)-(3,4,5-trimethylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name(2-fluoro-4-hydroxyphenyl)-(3,4,5-trimethylpiperazin-1-yl)methanone
PubChem CID104873399
Molecular FormulaC14H19FN2O2
Molecular Weight266.32 g/mol
Exact Mass266.14
IUPAC Name(2-fluoro-4-hydroxyphenyl)-(3,4,5-trimethylpiperazin-1-yl)methanone
SMILESCC1CN(C(=O)c2ccc(O)cc2F)CC(C)N1C
InChIInChI=1S/C14H19FN2O2/c1-9-7-17(8-10(2)16(9)3)14(19)12-5-4-11(18)6-13(12)15/h4-6,9-10,18H,7-8H2,1-3H3
InChIKeyUJCNAZYDQGILHB-UHFFFAOYSA-N
XLogP1.70
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.32
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2,4-dihydroxyphenyl)-(3,4,5-trimethylpiperazin-1-yl)methanone
CID 104873383
[(1S,5R)-8-amino-3-azabicyclo[3.2.1]octan-3-yl]-(2-fluoro-4-hydroxyphenyl)methanone
CID 122561723
(2,4-dichlorophenyl)-(3,4,5-trimethylpiperazin-1-yl)methanone
CID 110662344
[6,6-bis(hydroxymethyl)-3-azabicyclo[3.1.0]hexan-3-yl]-(2-fluoro-4-hydroxyphenyl)methanone
CID 138382958
(2-fluoro-4-hydroxyphenyl)-[(3S,4S)-3-methyl-4-morpholin-4-ylpyrrolidin-1-yl]methanone
CID 97339474
(3-chloropyrrolidin-1-yl)-(2-fluoro-4-hydroxyphenyl)methanone
CID 107677548
(3-aminopyrrolidin-1-yl)-(2-fluoro-4-hydroxyphenyl)methanone
CID 103840749
(4-bromo-2-fluorophenyl)-(3,4-dimethylpiperazin-1-yl)methanone
CID 55215467
(3,4-dimethylpiperazin-1-yl)-(4-hydroxy-2-methylphenyl)methanone
CID 103873477
(2-fluoro-4-hydroxyphenyl)-[(2R)-4-methyl-2-propan-2-ylpiperazin-1-yl]methanone
CID 99820667
[4-(2-aminoethyl)piperazin-1-yl]-(2-fluoro-4-hydroxyphenyl)methanone
CID 107674348
1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridin-6-yl-(2-fluoro-4-hydroxyphenyl)methanone
CID 107677233

Frequently Asked Questions

What is the IUPAC name of (2-fluoro-4-hydroxyphenyl)-(3,4,5-trimethylpiperazin-1-yl)methanone?
The IUPAC name of (2-fluoro-4-hydroxyphenyl)-(3,4,5-trimethylpiperazin-1-yl)methanone (CID 104873399) is (2-fluoro-4-hydroxyphenyl)-(3,4,5-trimethylpiperazin-1-yl)methanone.
What is the SMILES notation for (2-fluoro-4-hydroxyphenyl)-(3,4,5-trimethylpiperazin-1-yl)methanone?
The canonical SMILES for (2-fluoro-4-hydroxyphenyl)-(3,4,5-trimethylpiperazin-1-yl)methanone is CC1CN(C(=O)c2ccc(O)cc2F)CC(C)N1C.
What is the InChIKey of (2-fluoro-4-hydroxyphenyl)-(3,4,5-trimethylpiperazin-1-yl)methanone?
The InChIKey is UJCNAZYDQGILHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19FN2O2/c1-9-7-17(8-10(2)16(9)3)14(19)12-5-4-11(18)6-13(12)15/h4-6,9-10,18H,7-8H2,1-3H3.
What are the key properties of (2-fluoro-4-hydroxyphenyl)-(3,4,5-trimethylpiperazin-1-yl)methanone?
(2-fluoro-4-hydroxyphenyl)-(3,4,5-trimethylpiperazin-1-yl)methanone has a molecular weight of 266.32 g/mol, XLogP of 1.70, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-fluoro-4-hydroxyphenyl)-(3,4,5-trimethylpiperazin-1-yl)methanone is sourced from PubChem (CID 104873399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).