(2,2-dimethylpiperazin-1-yl)-(5-fluoro-2-methoxyphenyl)methanone

C14H19FN2O2 — CID 115273119

IUPAC(2,2-dimethylpiperazin-1-yl)-(5-fluoro-2-methoxyphenyl)methanone
SMILESCOc1ccc(F)cc1C(=O)N1CCNCC1(C)C
InChIInChI=1S/C14H19FN2O2/c1-14(2)9-16-6-7-17(14)13(18)11-8-10(15)4-5-12(11)19-3/h4-5,8,16H,6-7,9H2,1-3H3
InChIKeyFHACISSICTZRBN-UHFFFAOYSA-N
MW266.32 g/mol
LogP1.66
Rot. Bonds2

About (2,2-dimethylpiperazin-1-yl)-(5-fluoro-2-methoxyphenyl)methanone

(2,2-dimethylpiperazin-1-yl)-(5-fluoro-2-methoxyphenyl)methanone (PubChem CID 115273119) has the molecular formula C14H19FN2O2 and a molecular weight of 266.32 g/mol. Its IUPAC name is (2,2-dimethylpiperazin-1-yl)-(5-fluoro-2-methoxyphenyl)methanone.

Molecular Properties

Compound Name(2,2-dimethylpiperazin-1-yl)-(5-fluoro-2-methoxyphenyl)methanone
PubChem CID115273119
Molecular FormulaC14H19FN2O2
Molecular Weight266.32 g/mol
Exact Mass266.14
IUPAC Name(2,2-dimethylpiperazin-1-yl)-(5-fluoro-2-methoxyphenyl)methanone
SMILESCOc1ccc(F)cc1C(=O)N1CCNCC1(C)C
InChIInChI=1S/C14H19FN2O2/c1-14(2)9-16-6-7-17(14)13(18)11-8-10(15)4-5-12(11)19-3/h4-5,8,16H,6-7,9H2,1-3H3
InChIKeyFHACISSICTZRBN-UHFFFAOYSA-N
XLogP1.66
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.32
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2-chloro-4-fluorophenyl)-(2,2-dimethylpiperazin-1-yl)methanone
CID 65461519
(2,2-dimethylpiperazin-1-yl)-(2-fluoro-4-hydroxyphenyl)methanone
CID 107677145
(5-fluoro-2-methoxyphenyl)-(4-methylpiperidin-4-yl)methanone
CID 116567687
(2,4-dichlorophenyl)-(2,2-dimethylpiperazin-1-yl)methanone
CID 65461126
(2,2-dimethylpiperazin-1-yl)-(4-methylphenyl)methanone
CID 65462539
(2,2-dimethylpiperazin-1-yl)-(5-fluoro-3-pyridinyl)methanone
CID 115737561
(5-chloro-2-methylphenyl)-(2,2-dimethylpiperazin-1-yl)methanone
CID 82883411
(5-fluoro-2-methoxyphenyl)-(4-hydroxypiperidin-1-yl)methanone
CID 82481714
[(3R,5R)-3,5-dimethylpiperazin-1-yl]-(5-fluoro-2-methoxyphenyl)methanone
CID 124590484
(2,2-dimethylpiperazin-1-yl)-(2-hydroxy-3-methylphenyl)methanone
CID 65462948
1-[4-(5-fluoro-2-methoxybenzoyl)-1,4-diazepan-1-yl]-2-methylpropan-1-one
CID 110806210
4-(2-methoxy-5-methylbenzoyl)-3,3-dimethylpiperazin-2-one
CID 63608428

Frequently Asked Questions

What is the IUPAC name of (2,2-dimethylpiperazin-1-yl)-(5-fluoro-2-methoxyphenyl)methanone?
The IUPAC name of (2,2-dimethylpiperazin-1-yl)-(5-fluoro-2-methoxyphenyl)methanone (CID 115273119) is (2,2-dimethylpiperazin-1-yl)-(5-fluoro-2-methoxyphenyl)methanone.
What is the SMILES notation for (2,2-dimethylpiperazin-1-yl)-(5-fluoro-2-methoxyphenyl)methanone?
The canonical SMILES for (2,2-dimethylpiperazin-1-yl)-(5-fluoro-2-methoxyphenyl)methanone is COc1ccc(F)cc1C(=O)N1CCNCC1(C)C.
What is the InChIKey of (2,2-dimethylpiperazin-1-yl)-(5-fluoro-2-methoxyphenyl)methanone?
The InChIKey is FHACISSICTZRBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19FN2O2/c1-14(2)9-16-6-7-17(14)13(18)11-8-10(15)4-5-12(11)19-3/h4-5,8,16H,6-7,9H2,1-3H3.
What are the key properties of (2,2-dimethylpiperazin-1-yl)-(5-fluoro-2-methoxyphenyl)methanone?
(2,2-dimethylpiperazin-1-yl)-(5-fluoro-2-methoxyphenyl)methanone has a molecular weight of 266.32 g/mol, XLogP of 1.66, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2,2-dimethylpiperazin-1-yl)-(5-fluoro-2-methoxyphenyl)methanone is sourced from PubChem (CID 115273119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).