[(2S)-2,4-dimethylpiperazin-1-yl]-(2-fluoro-5-methoxy-4-methylphenyl)methanone

C15H21FN2O2 — CID 146329900

IUPAC[(2S)-2,4-dimethylpiperazin-1-yl]-(2-fluoro-5-methoxy-4-methylphenyl)methanone
SMILESCOc1cc(C(=O)N2CCN(C)C[C@@H]2C)c(F)cc1C
InChIInChI=1S/C15H21FN2O2/c1-10-7-13(16)12(8-14(10)20-4)15(19)18-6-5-17(3)9-11(18)2/h7-8,11H,5-6,9H2,1-4H3/t11-/m0/s1
InChIKeyHVNFKCINRBCPBH-NSHDSACASA-N
MW280.34 g/mol
LogP1.92
Rot. Bonds2

About [(2S)-2,4-dimethylpiperazin-1-yl]-(2-fluoro-5-methoxy-4-methylphenyl)methanone

[(2S)-2,4-dimethylpiperazin-1-yl]-(2-fluoro-5-methoxy-4-methylphenyl)methanone (PubChem CID 146329900) has the molecular formula C15H21FN2O2 and a molecular weight of 280.34 g/mol. Its IUPAC name is [(2S)-2,4-dimethylpiperazin-1-yl]-(2-fluoro-5-methoxy-4-methylphenyl)methanone.

Molecular Properties

Compound Name[(2S)-2,4-dimethylpiperazin-1-yl]-(2-fluoro-5-methoxy-4-methylphenyl)methanone
PubChem CID146329900
Molecular FormulaC15H21FN2O2
Molecular Weight280.34 g/mol
Exact Mass280.16
IUPAC Name[(2S)-2,4-dimethylpiperazin-1-yl]-(2-fluoro-5-methoxy-4-methylphenyl)methanone
SMILESCOc1cc(C(=O)N2CCN(C)C[C@@H]2C)c(F)cc1C
InChIInChI=1S/C15H21FN2O2/c1-10-7-13(16)12(8-14(10)20-4)15(19)18-6-5-17(3)9-11(18)2/h7-8,11H,5-6,9H2,1-4H3/t11-/m0/s1
InChIKeyHVNFKCINRBCPBH-NSHDSACASA-N
XLogP1.92
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.34
LogP ≤ 51.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(4-tert-butyl-2-fluoro-5-methoxyphenyl)-(2,4-dimethylpiperazin-1-yl)methanone
CID 154607808
(2,5-dimethoxyphenyl)-[(2S)-2,4-dimethylpiperazin-1-yl]methanone
CID 97094005
(2,4-dimethylpiperazin-1-yl)-(4-fluoro-3-methylphenyl)methanone
CID 113233774
(2,4-dimethylphenyl)-(2,4-dimethylpiperazin-1-yl)methanone
CID 71877125
5-[(2S)-2,4-dimethylpiperazine-1-carbonyl]-2,4-dimethylbenzenesulfonamide
CID 97067605
[(2S)-2,4-dimethylpiperazin-1-yl]-[4-(2-methoxyphenyl)-1H-pyrrol-3-yl]methanone
CID 97093981
(2,4-dimethyl-1,4-diazepan-1-yl)-(4-fluoro-2-methylphenyl)methanone
CID 114086778
tert-butyl 4-(2-fluoro-5-hydroxy-4-methylbenzoyl)-3-methylpiperazine-1-carboxylate
CID 171906086
5-(2,4-dimethylpiperazine-1-carbonyl)-2-methoxy-N-methylbenzenesulfonamide
CID 71877292
(2,5-difluoro-4-methylphenyl)-[(5R)-5-methyl-1,4-thiazepan-4-yl]methanone
CID 99795644
(2,4-dimethylpiperazin-1-yl)-(7-fluoro-2-methylquinolin-3-yl)methanone
CID 71877137
(2,4-dimethylpiperazin-1-yl)-[5-(2-fluoro-4-methoxyphenyl)-1,2-oxazol-3-yl]methanone
CID 71877149

Frequently Asked Questions

What is the IUPAC name of [(2S)-2,4-dimethylpiperazin-1-yl]-(2-fluoro-5-methoxy-4-methylphenyl)methanone?
The IUPAC name of [(2S)-2,4-dimethylpiperazin-1-yl]-(2-fluoro-5-methoxy-4-methylphenyl)methanone (CID 146329900) is [(2S)-2,4-dimethylpiperazin-1-yl]-(2-fluoro-5-methoxy-4-methylphenyl)methanone.
What is the SMILES notation for [(2S)-2,4-dimethylpiperazin-1-yl]-(2-fluoro-5-methoxy-4-methylphenyl)methanone?
The canonical SMILES for [(2S)-2,4-dimethylpiperazin-1-yl]-(2-fluoro-5-methoxy-4-methylphenyl)methanone is COc1cc(C(=O)N2CCN(C)C[C@@H]2C)c(F)cc1C.
What is the InChIKey of [(2S)-2,4-dimethylpiperazin-1-yl]-(2-fluoro-5-methoxy-4-methylphenyl)methanone?
The InChIKey is HVNFKCINRBCPBH-NSHDSACASA-N. The full InChI is InChI=1S/C15H21FN2O2/c1-10-7-13(16)12(8-14(10)20-4)15(19)18-6-5-17(3)9-11(18)2/h7-8,11H,5-6,9H2,1-4H3/t11-/m0/s1.
What are the key properties of [(2S)-2,4-dimethylpiperazin-1-yl]-(2-fluoro-5-methoxy-4-methylphenyl)methanone?
[(2S)-2,4-dimethylpiperazin-1-yl]-(2-fluoro-5-methoxy-4-methylphenyl)methanone has a molecular weight of 280.34 g/mol, XLogP of 1.92, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-2,4-dimethylpiperazin-1-yl]-(2-fluoro-5-methoxy-4-methylphenyl)methanone is sourced from PubChem (CID 146329900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).