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

C13H16F2N2O — CID 79993492

IUPAC(3-amino-5-methylpiperidin-1-yl)-(2,3-difluorophenyl)methanone
SMILESCC1CC(N)CN(C(=O)c2cccc(F)c2F)C1
InChIInChI=1S/C13H16F2N2O/c1-8-5-9(16)7-17(6-8)13(18)10-3-2-4-11(14)12(10)15/h2-4,8-9H,5-7,16H2,1H3
InChIKeyOOWBKGOESZYCQW-UHFFFAOYSA-N
MW254.28 g/mol
LogP1.77
Rot. Bonds1

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

(3-amino-5-methylpiperidin-1-yl)-(2,3-difluorophenyl)methanone (PubChem CID 79993492) has the molecular formula C13H16F2N2O and a molecular weight of 254.28 g/mol. Its IUPAC name is (3-amino-5-methylpiperidin-1-yl)-(2,3-difluorophenyl)methanone.

Molecular Properties

Compound Name(3-amino-5-methylpiperidin-1-yl)-(2,3-difluorophenyl)methanone
PubChem CID79993492
Molecular FormulaC13H16F2N2O
Molecular Weight254.28 g/mol
Exact Mass254.12
IUPAC Name(3-amino-5-methylpiperidin-1-yl)-(2,3-difluorophenyl)methanone
SMILESCC1CC(N)CN(C(=O)c2cccc(F)c2F)C1
InChIInChI=1S/C13H16F2N2O/c1-8-5-9(16)7-17(6-8)13(18)10-3-2-4-11(14)12(10)15/h2-4,8-9H,5-7,16H2,1H3
InChIKeyOOWBKGOESZYCQW-UHFFFAOYSA-N
XLogP1.77
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.28
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2,3-difluorobenzoyl)-5-methylpiperidine-3-carboxylic acid
CID 122118890
(3,5-dimethylpiperidin-1-yl)-(3-fluoro-2-hydrazinylphenyl)methanone
CID 55100115
[(3aR,7aS)-5-amino-1,3,3a,4,5,6,7,7a-octahydroisoindol-2-yl]-(2,3-difluorophenyl)methanone
CID 62660368
(2,3-difluorophenyl)-(3,5-dimethylpiperazin-1-yl)methanone
CID 63872512
(3-amino-5-methylpiperidin-1-yl)-(3-fluoro-4-pyridinyl)methanone
CID 79994306
(3-amino-5-methylpiperidin-1-yl)-(3,4,5-trifluorophenyl)methanone
CID 79994422
(3-amino-5-methylpiperidin-1-yl)-(2,6-difluoro-3-methylphenyl)methanone
CID 82816396
(3-amino-5-methylpiperidin-1-yl)-(2,6-dihydroxyphenyl)methanone
CID 107690384
3-amino-N-(2-fluorophenyl)-5-methylpiperidine-1-carboxamide
CID 79994443
(3-aminoazetidin-1-yl)-(2-fluorophenyl)methanone
CID 63755092
(3-amino-5-methylpiperidin-1-yl)-quinolin-8-ylmethanone
CID 79994421
(2,3-difluorophenyl)-[(3R)-3-methylpiperazin-1-yl]methanone
CID 81428714

Frequently Asked Questions

What is the IUPAC name of (3-amino-5-methylpiperidin-1-yl)-(2,3-difluorophenyl)methanone?
The IUPAC name of (3-amino-5-methylpiperidin-1-yl)-(2,3-difluorophenyl)methanone (CID 79993492) is (3-amino-5-methylpiperidin-1-yl)-(2,3-difluorophenyl)methanone.
What is the SMILES notation for (3-amino-5-methylpiperidin-1-yl)-(2,3-difluorophenyl)methanone?
The canonical SMILES for (3-amino-5-methylpiperidin-1-yl)-(2,3-difluorophenyl)methanone is CC1CC(N)CN(C(=O)c2cccc(F)c2F)C1.
What is the InChIKey of (3-amino-5-methylpiperidin-1-yl)-(2,3-difluorophenyl)methanone?
The InChIKey is OOWBKGOESZYCQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16F2N2O/c1-8-5-9(16)7-17(6-8)13(18)10-3-2-4-11(14)12(10)15/h2-4,8-9H,5-7,16H2,1H3.
What are the key properties of (3-amino-5-methylpiperidin-1-yl)-(2,3-difluorophenyl)methanone?
(3-amino-5-methylpiperidin-1-yl)-(2,3-difluorophenyl)methanone has a molecular weight of 254.28 g/mol, XLogP of 1.77, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-amino-5-methylpiperidin-1-yl)-(2,3-difluorophenyl)methanone is sourced from PubChem (CID 79993492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).