(5-fluoro-2-methylphenyl)-(2-methylpiperazin-1-yl)methanone

C13H17FN2O — CID 63047401

IUPAC(5-fluoro-2-methylphenyl)-(2-methylpiperazin-1-yl)methanone
SMILESCc1ccc(F)cc1C(=O)N1CCNCC1C
InChIInChI=1S/C13H17FN2O/c1-9-3-4-11(14)7-12(9)13(17)16-6-5-15-8-10(16)2/h3-4,7,10,15H,5-6,8H2,1-2H3
InChIKeyODEOQBGLGAKHSC-UHFFFAOYSA-N
MW236.29 g/mol
LogP1.57
Rot. Bonds1

About (5-fluoro-2-methylphenyl)-(2-methylpiperazin-1-yl)methanone

(5-fluoro-2-methylphenyl)-(2-methylpiperazin-1-yl)methanone (PubChem CID 63047401) has the molecular formula C13H17FN2O and a molecular weight of 236.29 g/mol. Its IUPAC name is (5-fluoro-2-methylphenyl)-(2-methylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name(5-fluoro-2-methylphenyl)-(2-methylpiperazin-1-yl)methanone
PubChem CID63047401
Molecular FormulaC13H17FN2O
Molecular Weight236.29 g/mol
Exact Mass236.13
IUPAC Name(5-fluoro-2-methylphenyl)-(2-methylpiperazin-1-yl)methanone
SMILESCc1ccc(F)cc1C(=O)N1CCNCC1C
InChIInChI=1S/C13H17FN2O/c1-9-3-4-11(14)7-12(9)13(17)16-6-5-15-8-10(16)2/h3-4,7,10,15H,5-6,8H2,1-2H3
InChIKeyODEOQBGLGAKHSC-UHFFFAOYSA-N
XLogP1.57
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.29
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2,5-difluorophenyl)-[(2S)-2-methylpiperazin-1-yl]methanone
CID 82705670
(2,5-dimethylphenyl)-[(2S)-2-methylpiperazin-1-yl]methanone
CID 82704843
(2-methyl-5-methylsulfanylphenyl)-(2-methylpiperazin-1-yl)methanone
CID 119471531
N-(4-fluorophenyl)-4-methyl-3-(2-methylpiperazine-1-carbonyl)benzenesulfonamide;hydrochloride
CID 119470414
[1-(4-fluorophenyl)-2,5-dimethylpyrrol-3-yl]-(2-methylpiperazin-1-yl)methanone;hydrochloride
CID 119472333
(2-fluoro-4-methylphenyl)-(2-methylpiperazin-1-yl)methanone;hydrochloride
CID 119472703
(3-fluorophenyl)-(2-methylpiperazin-1-yl)methanone
CID 62672072
(5-chloro-2-fluorophenyl)-(2-methylpiperazin-1-yl)methanone;hydrochloride
CID 119472374
(3-fluorophenyl)-[(2S)-2-methylpiperazin-1-yl]methanone;hydrochloride
CID 68757495
(4-bromo-2-fluorophenyl)-[(2R)-2-methylpiperazin-1-yl]methanone
CID 82705543
(5-fluoro-3-methyl-1-benzothiophen-2-yl)-(2-methylpiperazin-1-yl)methanone;hydrochloride
CID 119470846
(2-hydroxy-4-methylphenyl)-[(2S)-2-methylpiperazin-1-yl]methanone
CID 82756335

Frequently Asked Questions

What is the IUPAC name of (5-fluoro-2-methylphenyl)-(2-methylpiperazin-1-yl)methanone?
The IUPAC name of (5-fluoro-2-methylphenyl)-(2-methylpiperazin-1-yl)methanone (CID 63047401) is (5-fluoro-2-methylphenyl)-(2-methylpiperazin-1-yl)methanone.
What is the SMILES notation for (5-fluoro-2-methylphenyl)-(2-methylpiperazin-1-yl)methanone?
The canonical SMILES for (5-fluoro-2-methylphenyl)-(2-methylpiperazin-1-yl)methanone is Cc1ccc(F)cc1C(=O)N1CCNCC1C.
What is the InChIKey of (5-fluoro-2-methylphenyl)-(2-methylpiperazin-1-yl)methanone?
The InChIKey is ODEOQBGLGAKHSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17FN2O/c1-9-3-4-11(14)7-12(9)13(17)16-6-5-15-8-10(16)2/h3-4,7,10,15H,5-6,8H2,1-2H3.
What are the key properties of (5-fluoro-2-methylphenyl)-(2-methylpiperazin-1-yl)methanone?
(5-fluoro-2-methylphenyl)-(2-methylpiperazin-1-yl)methanone has a molecular weight of 236.29 g/mol, XLogP of 1.57, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5-fluoro-2-methylphenyl)-(2-methylpiperazin-1-yl)methanone is sourced from PubChem (CID 63047401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).