(2,4-dimethylpiperazin-1-yl)-(4-fluoro-3-methylphenyl)methanone

C14H19FN2O — CID 113233774

IUPAC(2,4-dimethylpiperazin-1-yl)-(4-fluoro-3-methylphenyl)methanone
SMILESCc1cc(C(=O)N2CCN(C)CC2C)ccc1F
InChIInChI=1S/C14H19FN2O/c1-10-8-12(4-5-13(10)15)14(18)17-7-6-16(3)9-11(17)2/h4-5,8,11H,6-7,9H2,1-3H3
InChIKeyWUWUNOZBBFEVOQ-UHFFFAOYSA-N
MW250.32 g/mol
LogP1.91
Rot. Bonds1

About (2,4-dimethylpiperazin-1-yl)-(4-fluoro-3-methylphenyl)methanone

(2,4-dimethylpiperazin-1-yl)-(4-fluoro-3-methylphenyl)methanone (PubChem CID 113233774) has the molecular formula C14H19FN2O and a molecular weight of 250.32 g/mol. Its IUPAC name is (2,4-dimethylpiperazin-1-yl)-(4-fluoro-3-methylphenyl)methanone.

Molecular Properties

Compound Name(2,4-dimethylpiperazin-1-yl)-(4-fluoro-3-methylphenyl)methanone
PubChem CID113233774
Molecular FormulaC14H19FN2O
Molecular Weight250.32 g/mol
Exact Mass250.15
IUPAC Name(2,4-dimethylpiperazin-1-yl)-(4-fluoro-3-methylphenyl)methanone
SMILESCc1cc(C(=O)N2CCN(C)CC2C)ccc1F
InChIInChI=1S/C14H19FN2O/c1-10-8-12(4-5-13(10)15)14(18)17-7-6-16(3)9-11(17)2/h4-5,8,11H,6-7,9H2,1-3H3
InChIKeyWUWUNOZBBFEVOQ-UHFFFAOYSA-N
XLogP1.91
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.32
LogP ≤ 51.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(3,4-dihydroxyphenyl)-(2,4-dimethylpiperazin-1-yl)methanone
CID 103957022
(4-bromo-3-methylphenyl)-(2,4-dimethyl-1,4-diazepan-1-yl)methanone
CID 114086848
1-[4-[(2S)-2,4-dimethylpiperazine-1-carbonyl]-2-methylphenyl]imidazolidin-2-one
CID 97068187
(2,4-dimethylphenyl)-(2,4-dimethylpiperazin-1-yl)methanone
CID 71877125
(3-aminophenyl)-(2,4-dimethylpiperazin-1-yl)methanone
CID 103814619
(3-amino-5-methylpiperidin-1-yl)-(4-fluoro-3-methylphenyl)methanone
CID 79993239
(2,4-dimethyl-1,4-diazepan-1-yl)-(4-fluoro-2-methylphenyl)methanone
CID 114086778
[(2S)-2,4-dimethylpiperazin-1-yl]-(2-fluoro-5-methoxy-4-methylphenyl)methanone
CID 146329900
(4-chloro-3-methylsulfonylphenyl)-(2,4-dimethylpiperazin-1-yl)methanone
CID 71877222
[2-(aminomethyl)-4-methylpiperazin-1-yl]-(3-fluoro-4-methylphenyl)methanone
CID 80505001
(3,4-dimethylpiperidin-1-yl)-(4-fluoro-3-methylphenyl)methanone
CID 115872321
[(2R)-2,4-dimethylpiperazin-1-yl]-(3-methylsulfonylphenyl)methanone
CID 97094162

Frequently Asked Questions

What is the IUPAC name of (2,4-dimethylpiperazin-1-yl)-(4-fluoro-3-methylphenyl)methanone?
The IUPAC name of (2,4-dimethylpiperazin-1-yl)-(4-fluoro-3-methylphenyl)methanone (CID 113233774) is (2,4-dimethylpiperazin-1-yl)-(4-fluoro-3-methylphenyl)methanone.
What is the SMILES notation for (2,4-dimethylpiperazin-1-yl)-(4-fluoro-3-methylphenyl)methanone?
The canonical SMILES for (2,4-dimethylpiperazin-1-yl)-(4-fluoro-3-methylphenyl)methanone is Cc1cc(C(=O)N2CCN(C)CC2C)ccc1F.
What is the InChIKey of (2,4-dimethylpiperazin-1-yl)-(4-fluoro-3-methylphenyl)methanone?
The InChIKey is WUWUNOZBBFEVOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19FN2O/c1-10-8-12(4-5-13(10)15)14(18)17-7-6-16(3)9-11(17)2/h4-5,8,11H,6-7,9H2,1-3H3.
What are the key properties of (2,4-dimethylpiperazin-1-yl)-(4-fluoro-3-methylphenyl)methanone?
(2,4-dimethylpiperazin-1-yl)-(4-fluoro-3-methylphenyl)methanone has a molecular weight of 250.32 g/mol, XLogP of 1.91, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2,4-dimethylpiperazin-1-yl)-(4-fluoro-3-methylphenyl)methanone is sourced from PubChem (CID 113233774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).