(4-ethylpiperazin-1-yl)-(2-fluoro-4-methylphenyl)methanone

C14H19FN2O — CID 70215264

IUPAC(4-ethylpiperazin-1-yl)-(2-fluoro-4-methylphenyl)methanone
SMILESCCN1CCN(C(=O)c2ccc(C)cc2F)CC1
InChIInChI=1S/C14H19FN2O/c1-3-16-6-8-17(9-7-16)14(18)12-5-4-11(2)10-13(12)15/h4-5,10H,3,6-9H2,1-2H3
InChIKeyJADYLJUOPMBSEV-UHFFFAOYSA-N
MW250.32 g/mol
LogP1.91
Rot. Bonds2

About (4-ethylpiperazin-1-yl)-(2-fluoro-4-methylphenyl)methanone

(4-ethylpiperazin-1-yl)-(2-fluoro-4-methylphenyl)methanone (PubChem CID 70215264) has the molecular formula C14H19FN2O and a molecular weight of 250.32 g/mol. Its IUPAC name is (4-ethylpiperazin-1-yl)-(2-fluoro-4-methylphenyl)methanone.

Molecular Properties

Compound Name(4-ethylpiperazin-1-yl)-(2-fluoro-4-methylphenyl)methanone
PubChem CID70215264
Molecular FormulaC14H19FN2O
Molecular Weight250.32 g/mol
Exact Mass250.15
IUPAC Name(4-ethylpiperazin-1-yl)-(2-fluoro-4-methylphenyl)methanone
SMILESCCN1CCN(C(=O)c2ccc(C)cc2F)CC1
InChIInChI=1S/C14H19FN2O/c1-3-16-6-8-17(9-7-16)14(18)12-5-4-11(2)10-13(12)15/h4-5,10H,3,6-9H2,1-2H3
InChIKeyJADYLJUOPMBSEV-UHFFFAOYSA-N
XLogP1.91
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
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

(4-ethylpiperazin-1-yl)-[5-methyl-2-(methylamino)phenyl]methanone
CID 62510512
(2-fluoro-5-methylphenyl)-(4-propylpiperazin-1-yl)methanone
CID 62508835
methyl 4-(2-fluoro-4-methylbenzoyl)piperazine-1-carboxylate
CID 79777957
[2-(ethylamino)-5-methylphenyl]-(4-ethylpiperazin-1-yl)methanone
CID 62510513
(5-chloro-2-fluorophenyl)-(4-ethylpiperazin-1-yl)methanone
CID 60675583
(4-bromophenyl)-[4-(2-fluoro-4-methylbenzoyl)piperazin-1-yl]methanone
CID 154840193
[4-(2-aminoethyl)piperazin-1-yl]-(2-fluoro-5-methylphenyl)methanone
CID 62515821
(2-fluoro-4-methylphenyl)-(4-hydroxy-4-methylpiperidin-1-yl)methanone
CID 70215265
(4-ethylpiperazin-1-yl)-[2-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methanone
CID 176731131
8-azaspiro[4.5]decan-8-yl-(2-fluoro-4-methylphenyl)methanone
CID 79796110
(4-amino-2-methylphenyl)-(4-ethylpiperazin-1-yl)methanone
CID 57431451
azetidin-1-yl-(2-fluoro-5-methylphenyl)methanone
CID 118296976

Frequently Asked Questions

What is the IUPAC name of (4-ethylpiperazin-1-yl)-(2-fluoro-4-methylphenyl)methanone?
The IUPAC name of (4-ethylpiperazin-1-yl)-(2-fluoro-4-methylphenyl)methanone (CID 70215264) is (4-ethylpiperazin-1-yl)-(2-fluoro-4-methylphenyl)methanone.
What is the SMILES notation for (4-ethylpiperazin-1-yl)-(2-fluoro-4-methylphenyl)methanone?
The canonical SMILES for (4-ethylpiperazin-1-yl)-(2-fluoro-4-methylphenyl)methanone is CCN1CCN(C(=O)c2ccc(C)cc2F)CC1.
What is the InChIKey of (4-ethylpiperazin-1-yl)-(2-fluoro-4-methylphenyl)methanone?
The InChIKey is JADYLJUOPMBSEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19FN2O/c1-3-16-6-8-17(9-7-16)14(18)12-5-4-11(2)10-13(12)15/h4-5,10H,3,6-9H2,1-2H3.
What are the key properties of (4-ethylpiperazin-1-yl)-(2-fluoro-4-methylphenyl)methanone?
(4-ethylpiperazin-1-yl)-(2-fluoro-4-methylphenyl)methanone has a molecular weight of 250.32 g/mol, XLogP of 1.91, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-ethylpiperazin-1-yl)-(2-fluoro-4-methylphenyl)methanone is sourced from PubChem (CID 70215264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).