(2,6-difluoro-3-methylphenyl)-[4-methyl-4-(methylamino)piperidin-1-yl]methanone

C15H20F2N2O — CID 82816025

IUPAC(2,6-difluoro-3-methylphenyl)-[4-methyl-4-(methylamino)piperidin-1-yl]methanone
SMILESCNC1(C)CCN(C(=O)c2c(F)ccc(C)c2F)CC1
InChIInChI=1S/C15H20F2N2O/c1-10-4-5-11(16)12(13(10)17)14(20)19-8-6-15(2,18-3)7-9-19/h4-5,18H,6-9H2,1-3H3
InChIKeyJXCFZSISJMANDO-UHFFFAOYSA-N
MW282.33 g/mol
LogP2.49
Rot. Bonds2

About (2,6-difluoro-3-methylphenyl)-[4-methyl-4-(methylamino)piperidin-1-yl]methanone

(2,6-difluoro-3-methylphenyl)-[4-methyl-4-(methylamino)piperidin-1-yl]methanone (PubChem CID 82816025) has the molecular formula C15H20F2N2O and a molecular weight of 282.33 g/mol. Its IUPAC name is (2,6-difluoro-3-methylphenyl)-[4-methyl-4-(methylamino)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(2,6-difluoro-3-methylphenyl)-[4-methyl-4-(methylamino)piperidin-1-yl]methanone
PubChem CID82816025
Molecular FormulaC15H20F2N2O
Molecular Weight282.33 g/mol
Exact Mass282.15
IUPAC Name(2,6-difluoro-3-methylphenyl)-[4-methyl-4-(methylamino)piperidin-1-yl]methanone
SMILESCNC1(C)CCN(C(=O)c2c(F)ccc(C)c2F)CC1
InChIInChI=1S/C15H20F2N2O/c1-10-4-5-11(16)12(13(10)17)14(20)19-8-6-15(2,18-3)7-9-19/h4-5,18H,6-9H2,1-3H3
InChIKeyJXCFZSISJMANDO-UHFFFAOYSA-N
XLogP2.49
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.33
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2,6-difluoro-3-methylphenyl)-[4-methyl-4-(methylamino)piperidin-1-yl]methanone?
The IUPAC name of (2,6-difluoro-3-methylphenyl)-[4-methyl-4-(methylamino)piperidin-1-yl]methanone (CID 82816025) is (2,6-difluoro-3-methylphenyl)-[4-methyl-4-(methylamino)piperidin-1-yl]methanone.
What is the SMILES notation for (2,6-difluoro-3-methylphenyl)-[4-methyl-4-(methylamino)piperidin-1-yl]methanone?
The canonical SMILES for (2,6-difluoro-3-methylphenyl)-[4-methyl-4-(methylamino)piperidin-1-yl]methanone is CNC1(C)CCN(C(=O)c2c(F)ccc(C)c2F)CC1.
What is the InChIKey of (2,6-difluoro-3-methylphenyl)-[4-methyl-4-(methylamino)piperidin-1-yl]methanone?
The InChIKey is JXCFZSISJMANDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20F2N2O/c1-10-4-5-11(16)12(13(10)17)14(20)19-8-6-15(2,18-3)7-9-19/h4-5,18H,6-9H2,1-3H3.
What are the key properties of (2,6-difluoro-3-methylphenyl)-[4-methyl-4-(methylamino)piperidin-1-yl]methanone?
(2,6-difluoro-3-methylphenyl)-[4-methyl-4-(methylamino)piperidin-1-yl]methanone has a molecular weight of 282.33 g/mol, XLogP of 2.49, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2,6-difluoro-3-methylphenyl)-[4-methyl-4-(methylamino)piperidin-1-yl]methanone is sourced from PubChem (CID 82816025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).