1-(2,5-difluoro-4-methylphenyl)-2-(6-methylpiperidin-2-yl)ethanone

C15H19F2NO — CID 116685376

IUPAC1-(2,5-difluoro-4-methylphenyl)-2-(6-methylpiperidin-2-yl)ethanone
SMILESCc1cc(F)c(C(=O)CC2CCCC(C)N2)cc1F
InChIInChI=1S/C15H19F2NO/c1-9-6-14(17)12(8-13(9)16)15(19)7-11-5-3-4-10(2)18-11/h6,8,10-11,18H,3-5,7H2,1-2H3
InChIKeyMPYLYTCKPHJNRP-UHFFFAOYSA-N
MW267.32 g/mol
LogP3.38
Rot. Bonds3

About 1-(2,5-difluoro-4-methylphenyl)-2-(6-methylpiperidin-2-yl)ethanone

1-(2,5-difluoro-4-methylphenyl)-2-(6-methylpiperidin-2-yl)ethanone (PubChem CID 116685376) has the molecular formula C15H19F2NO and a molecular weight of 267.32 g/mol. Its IUPAC name is 1-(2,5-difluoro-4-methylphenyl)-2-(6-methylpiperidin-2-yl)ethanone.

Molecular Properties

Compound Name1-(2,5-difluoro-4-methylphenyl)-2-(6-methylpiperidin-2-yl)ethanone
PubChem CID116685376
Molecular FormulaC15H19F2NO
Molecular Weight267.32 g/mol
Exact Mass267.14
IUPAC Name1-(2,5-difluoro-4-methylphenyl)-2-(6-methylpiperidin-2-yl)ethanone
SMILESCc1cc(F)c(C(=O)CC2CCCC(C)N2)cc1F
InChIInChI=1S/C15H19F2NO/c1-9-6-14(17)12(8-13(9)16)15(19)7-11-5-3-4-10(2)18-11/h6,8,10-11,18H,3-5,7H2,1-2H3
InChIKeyMPYLYTCKPHJNRP-UHFFFAOYSA-N
XLogP3.38
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.32
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2,5-difluoro-4-methylphenyl)-2-(5-methylmorpholin-3-yl)ethanone
CID 116685375
2-(6-methylpiperidin-2-yl)-1-(2,4,6-trimethylphenyl)ethanone
CID 116685161
1-(3-chloro-4-fluorophenyl)-2-(6-methylpiperidin-2-yl)ethanone
CID 116685194
1-(2,5-difluoro-4-methylphenyl)-2-(4-ethylpiperidin-2-yl)ethanone
CID 114425879
2-(6-methylpiperidin-2-yl)-1-naphthalen-1-ylethanone
CID 116685105
1-(2,4-difluoro-5-methylphenyl)-2-(1,3-dioxolan-2-yl)ethanone
CID 130817073
2,4-difluoro-N-[(6-methylpiperidin-2-yl)methyl]benzamide
CID 62322988
1-(3-bromophenyl)-2-(6-methylpiperidin-2-yl)ethanone
CID 116685102
2-fluoro-4-hydroxy-N-[(6-methylpiperidin-2-yl)methyl]benzamide
CID 107675740
2-fluoro-5-methyl-N-[(6-methylpiperidin-2-yl)methyl]benzamide
CID 62516361
2-[(3,5-difluorophenyl)methyl]-6-methylpiperidine
CID 106781875
4-hydroxy-2-methyl-N-[(6-methylpiperidin-2-yl)methyl]benzamide
CID 107671386

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-difluoro-4-methylphenyl)-2-(6-methylpiperidin-2-yl)ethanone?
The IUPAC name of 1-(2,5-difluoro-4-methylphenyl)-2-(6-methylpiperidin-2-yl)ethanone (CID 116685376) is 1-(2,5-difluoro-4-methylphenyl)-2-(6-methylpiperidin-2-yl)ethanone.
What is the SMILES notation for 1-(2,5-difluoro-4-methylphenyl)-2-(6-methylpiperidin-2-yl)ethanone?
The canonical SMILES for 1-(2,5-difluoro-4-methylphenyl)-2-(6-methylpiperidin-2-yl)ethanone is Cc1cc(F)c(C(=O)CC2CCCC(C)N2)cc1F.
What is the InChIKey of 1-(2,5-difluoro-4-methylphenyl)-2-(6-methylpiperidin-2-yl)ethanone?
The InChIKey is MPYLYTCKPHJNRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19F2NO/c1-9-6-14(17)12(8-13(9)16)15(19)7-11-5-3-4-10(2)18-11/h6,8,10-11,18H,3-5,7H2,1-2H3.
What are the key properties of 1-(2,5-difluoro-4-methylphenyl)-2-(6-methylpiperidin-2-yl)ethanone?
1-(2,5-difluoro-4-methylphenyl)-2-(6-methylpiperidin-2-yl)ethanone has a molecular weight of 267.32 g/mol, XLogP of 3.38, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-difluoro-4-methylphenyl)-2-(6-methylpiperidin-2-yl)ethanone is sourced from PubChem (CID 116685376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).