(2-amino-4,5-difluorophenyl)-(2,3,5-trimethylpiperidin-1-yl)methanone

C15H20F2N2O — CID 114591834

IUPAC(2-amino-4,5-difluorophenyl)-(2,3,5-trimethylpiperidin-1-yl)methanone
SMILESCC1CC(C)C(C)N(C(=O)c2cc(F)c(F)cc2N)C1
InChIInChI=1S/C15H20F2N2O/c1-8-4-9(2)10(3)19(7-8)15(20)11-5-12(16)13(17)6-14(11)18/h5-6,8-10H,4,7,18H2,1-3H3
InChIKeyQARRJTKCNFCEES-UHFFFAOYSA-N
MW282.33 g/mol
LogP3.05
Rot. Bonds1

About (2-amino-4,5-difluorophenyl)-(2,3,5-trimethylpiperidin-1-yl)methanone

(2-amino-4,5-difluorophenyl)-(2,3,5-trimethylpiperidin-1-yl)methanone (PubChem CID 114591834) has the molecular formula C15H20F2N2O and a molecular weight of 282.33 g/mol. Its IUPAC name is (2-amino-4,5-difluorophenyl)-(2,3,5-trimethylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name(2-amino-4,5-difluorophenyl)-(2,3,5-trimethylpiperidin-1-yl)methanone
PubChem CID114591834
Molecular FormulaC15H20F2N2O
Molecular Weight282.33 g/mol
Exact Mass282.15
IUPAC Name(2-amino-4,5-difluorophenyl)-(2,3,5-trimethylpiperidin-1-yl)methanone
SMILESCC1CC(C)C(C)N(C(=O)c2cc(F)c(F)cc2N)C1
InChIInChI=1S/C15H20F2N2O/c1-8-4-9(2)10(3)19(7-8)15(20)11-5-12(16)13(17)6-14(11)18/h5-6,8-10H,4,7,18H2,1-3H3
InChIKeyQARRJTKCNFCEES-UHFFFAOYSA-N
XLogP3.05
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.33
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

(2-amino-5-fluorophenyl)-(2,3,5-trimethylpiperidin-1-yl)methanone
CID 114591861
(2-bromo-5-fluorophenyl)-(2,3,5-trimethylpiperidin-1-yl)methanone
CID 114593396
(5-amino-2-methyl-3-pyridinyl)-(2,3,5-trimethylpiperidin-1-yl)methanone
CID 114591779
(5-amino-1H-pyrazol-4-yl)-(2,3,5-trimethylpiperidin-1-yl)methanone
CID 114594553
(4-fluoro-3-sulfanylphenyl)-(2,3,5-trimethylpiperidin-1-yl)methanone
CID 107036405
(2-fluoro-6-hydroxyphenyl)-(2,3,5-trimethylpiperidin-1-yl)methanone
CID 103274732
(2-amino-4,5-difluorophenyl)-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]methanone
CID 81205548
(2-hydroxy-3-methylphenyl)-(2,3,5-trimethylpiperidin-1-yl)methanone
CID 114593572
(5-bromo-2-hydrazinyl-3-pyridinyl)-(2,3,5-trimethylpiperidin-1-yl)methanone
CID 114596633
(2,6-dihydroxyphenyl)-(2,3,5-trimethylpiperidin-1-yl)methanone
CID 107689677
(6-fluoro-2-pyridinyl)-(2,3,5-trimethylpiperidin-1-yl)methanone
CID 114592943
[6-methyl-4-(methylamino)-3-pyridinyl]-(2,3,5-trimethylpiperidin-1-yl)methanone
CID 114596554

Frequently Asked Questions

What is the IUPAC name of (2-amino-4,5-difluorophenyl)-(2,3,5-trimethylpiperidin-1-yl)methanone?
The IUPAC name of (2-amino-4,5-difluorophenyl)-(2,3,5-trimethylpiperidin-1-yl)methanone (CID 114591834) is (2-amino-4,5-difluorophenyl)-(2,3,5-trimethylpiperidin-1-yl)methanone.
What is the SMILES notation for (2-amino-4,5-difluorophenyl)-(2,3,5-trimethylpiperidin-1-yl)methanone?
The canonical SMILES for (2-amino-4,5-difluorophenyl)-(2,3,5-trimethylpiperidin-1-yl)methanone is CC1CC(C)C(C)N(C(=O)c2cc(F)c(F)cc2N)C1.
What is the InChIKey of (2-amino-4,5-difluorophenyl)-(2,3,5-trimethylpiperidin-1-yl)methanone?
The InChIKey is QARRJTKCNFCEES-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20F2N2O/c1-8-4-9(2)10(3)19(7-8)15(20)11-5-12(16)13(17)6-14(11)18/h5-6,8-10H,4,7,18H2,1-3H3.
What are the key properties of (2-amino-4,5-difluorophenyl)-(2,3,5-trimethylpiperidin-1-yl)methanone?
(2-amino-4,5-difluorophenyl)-(2,3,5-trimethylpiperidin-1-yl)methanone has a molecular weight of 282.33 g/mol, XLogP of 3.05, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-amino-4,5-difluorophenyl)-(2,3,5-trimethylpiperidin-1-yl)methanone is sourced from PubChem (CID 114591834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).