(2-fluoro-5-methylphenyl)-piperazin-1-ylmethanone

C12H15FN2O — CID 62514775

IUPAC(2-fluoro-5-methylphenyl)-piperazin-1-ylmethanone
SMILESCc1ccc(F)c(C(=O)N2CCNCC2)c1
InChIInChI=1S/C12H15FN2O/c1-9-2-3-11(13)10(8-9)12(16)15-6-4-14-5-7-15/h2-3,8,14H,4-7H2,1H3
InChIKeyUVOQSIFKLJHZQY-UHFFFAOYSA-N
MW222.26 g/mol
LogP1.18
Rot. Bonds1

About (2-fluoro-5-methylphenyl)-piperazin-1-ylmethanone

(2-fluoro-5-methylphenyl)-piperazin-1-ylmethanone (PubChem CID 62514775) has the molecular formula C12H15FN2O and a molecular weight of 222.26 g/mol. Its IUPAC name is (2-fluoro-5-methylphenyl)-piperazin-1-ylmethanone.

Molecular Properties

Compound Name(2-fluoro-5-methylphenyl)-piperazin-1-ylmethanone
PubChem CID62514775
Molecular FormulaC12H15FN2O
Molecular Weight222.26 g/mol
Exact Mass222.12
IUPAC Name(2-fluoro-5-methylphenyl)-piperazin-1-ylmethanone
SMILESCc1ccc(F)c(C(=O)N2CCNCC2)c1
InChIInChI=1S/C12H15FN2O/c1-9-2-3-11(13)10(8-9)12(16)15-6-4-14-5-7-15/h2-3,8,14H,4-7H2,1H3
InChIKeyUVOQSIFKLJHZQY-UHFFFAOYSA-N
XLogP1.18
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.26
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

azetidin-1-yl-(2-fluoro-5-methylphenyl)methanone
CID 118296976
(2-fluoro-5-methylphenyl)-[(3S)-3-methylpiperazin-1-yl]methanone
CID 81426729
(5-chloro-2-fluorophenyl)-piperazin-1-ylmethanone
CID 16769233
(2-fluoro-5-methylphenyl)-(4-methylpiperidin-1-yl)methanone
CID 62510549
ethane;(2-fluoro-5-methylphenyl)-morpholin-4-ylmethanone
CID 145081702
(2-fluoro-5-methylphenyl)-[4-(hydroxymethyl)piperidin-1-yl]methanone
CID 62509275
1,4-diazepan-1-yl-(2,5-dimethylphenyl)methanone
CID 18071803
8-azaspiro[4.5]decan-8-yl-(2-fluoro-5-methylphenyl)methanone
CID 63159253
[4-(2-aminoethyl)piperazin-1-yl]-(2-fluoro-5-methylphenyl)methanone
CID 62515821
(2-fluoro-5-methylphenyl)-(4-propylpiperazin-1-yl)methanone
CID 62508835
(2-fluoro-5-methylphenyl)-(3-methylpyrrolidin-1-yl)methanone
CID 62512522
2-[4-(2-fluoro-5-methylbenzoyl)piperazin-1-yl]propanoic acid
CID 62516519

Frequently Asked Questions

What is the IUPAC name of (2-fluoro-5-methylphenyl)-piperazin-1-ylmethanone?
The IUPAC name of (2-fluoro-5-methylphenyl)-piperazin-1-ylmethanone (CID 62514775) is (2-fluoro-5-methylphenyl)-piperazin-1-ylmethanone.
What is the SMILES notation for (2-fluoro-5-methylphenyl)-piperazin-1-ylmethanone?
The canonical SMILES for (2-fluoro-5-methylphenyl)-piperazin-1-ylmethanone is Cc1ccc(F)c(C(=O)N2CCNCC2)c1.
What is the InChIKey of (2-fluoro-5-methylphenyl)-piperazin-1-ylmethanone?
The InChIKey is UVOQSIFKLJHZQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15FN2O/c1-9-2-3-11(13)10(8-9)12(16)15-6-4-14-5-7-15/h2-3,8,14H,4-7H2,1H3.
What are the key properties of (2-fluoro-5-methylphenyl)-piperazin-1-ylmethanone?
(2-fluoro-5-methylphenyl)-piperazin-1-ylmethanone has a molecular weight of 222.26 g/mol, XLogP of 1.18, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-fluoro-5-methylphenyl)-piperazin-1-ylmethanone is sourced from PubChem (CID 62514775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).