(2,4-difluorophenyl)-[(2R)-2-methylpiperidin-1-yl]methanone

C13H15F2NO — CID 2347956

IUPAC(2,4-difluorophenyl)-[(2R)-2-methylpiperidin-1-yl]methanone
SMILESC[C@@H]1CCCCN1C(=O)c1ccc(F)cc1F
InChIInChI=1S/C13H15F2NO/c1-9-4-2-3-7-16(9)13(17)11-6-5-10(14)8-12(11)15/h5-6,8-9H,2-4,7H2,1H3/t9-/m1/s1
InChIKeyGKEYHHSCTGBSCU-SECBINFHSA-N
MW239.26 g/mol
LogP2.98
Rot. Bonds1

About (2,4-difluorophenyl)-[(2R)-2-methylpiperidin-1-yl]methanone

(2,4-difluorophenyl)-[(2R)-2-methylpiperidin-1-yl]methanone (PubChem CID 2347956) has the molecular formula C13H15F2NO and a molecular weight of 239.26 g/mol. Its IUPAC name is (2,4-difluorophenyl)-[(2R)-2-methylpiperidin-1-yl]methanone.

Molecular Properties

Compound Name(2,4-difluorophenyl)-[(2R)-2-methylpiperidin-1-yl]methanone
PubChem CID2347956
Molecular FormulaC13H15F2NO
Molecular Weight239.26 g/mol
Exact Mass239.11
IUPAC Name(2,4-difluorophenyl)-[(2R)-2-methylpiperidin-1-yl]methanone
SMILESC[C@@H]1CCCCN1C(=O)c1ccc(F)cc1F
InChIInChI=1S/C13H15F2NO/c1-9-4-2-3-7-16(9)13(17)11-6-5-10(14)8-12(11)15/h5-6,8-9H,2-4,7H2,1H3/t9-/m1/s1
InChIKeyGKEYHHSCTGBSCU-SECBINFHSA-N
XLogP2.98
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.26
LogP ≤ 52.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

(4-fluoro-2-iodophenyl)-(2-methylazepan-1-yl)methanone
CID 113236236
1-(2,4-difluorobenzoyl)-2-methylpiperidine-4-carboxylic acid
CID 106741867
[2-(chloromethyl)piperidin-1-yl]-(2,4-difluorophenyl)methanone
CID 55186080
(2-fluoro-4-methoxyphenyl)-(2-methylpyrrolidin-1-yl)methanone
CID 103709651
(2,4-difluorophenyl)-[2-(2-hydroxypropyl)piperidin-1-yl]methanone
CID 79549414
[2-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-(2-methylpiperidin-1-yl)methanone
CID 176731092
(2,3-difluoro-5-methylphenyl)-(2-methylpiperidin-1-yl)methanone
CID 593303
1-(2,4-difluorobenzoyl)pyrrolidine-2-carboxylic acid
CID 13016788
(4-bromo-2-fluoro-5-methylphenyl)-(2-methylpiperidin-1-yl)methanone
CID 167312115
(2-methylpyrrolidin-1-yl)-(2,3,4-trifluorophenyl)methanone
CID 110728179
2-(2,4-difluorophenyl)-4-(2-methylpiperidine-1-carbonyl)isoquinolin-1-one
CID 23987235
(4-chloro-2-hydroxyphenyl)-(2-methylpiperidin-1-yl)methanone
CID 43176497

Frequently Asked Questions

What is the IUPAC name of (2,4-difluorophenyl)-[(2R)-2-methylpiperidin-1-yl]methanone?
The IUPAC name of (2,4-difluorophenyl)-[(2R)-2-methylpiperidin-1-yl]methanone (CID 2347956) is (2,4-difluorophenyl)-[(2R)-2-methylpiperidin-1-yl]methanone.
What is the SMILES notation for (2,4-difluorophenyl)-[(2R)-2-methylpiperidin-1-yl]methanone?
The canonical SMILES for (2,4-difluorophenyl)-[(2R)-2-methylpiperidin-1-yl]methanone is C[C@@H]1CCCCN1C(=O)c1ccc(F)cc1F.
What is the InChIKey of (2,4-difluorophenyl)-[(2R)-2-methylpiperidin-1-yl]methanone?
The InChIKey is GKEYHHSCTGBSCU-SECBINFHSA-N. The full InChI is InChI=1S/C13H15F2NO/c1-9-4-2-3-7-16(9)13(17)11-6-5-10(14)8-12(11)15/h5-6,8-9H,2-4,7H2,1H3/t9-/m1/s1.
What are the key properties of (2,4-difluorophenyl)-[(2R)-2-methylpiperidin-1-yl]methanone?
(2,4-difluorophenyl)-[(2R)-2-methylpiperidin-1-yl]methanone has a molecular weight of 239.26 g/mol, XLogP of 2.98, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2,4-difluorophenyl)-[(2R)-2-methylpiperidin-1-yl]methanone is sourced from PubChem (CID 2347956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).