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

C13H16F2N2O2 — CID 107121477

IUPAC(3-amino-2,5-difluorophenyl)-(3-hydroxy-3-methylpiperidin-1-yl)methanone
SMILESCC1(O)CCCN(C(=O)c2cc(F)cc(N)c2F)C1
InChIInChI=1S/C13H16F2N2O2/c1-13(19)3-2-4-17(7-13)12(18)9-5-8(14)6-10(16)11(9)15/h5-6,19H,2-4,7,16H2,1H3
InChIKeyWBFOYQOAQYYQEU-UHFFFAOYSA-N
MW270.28 g/mol
LogP1.53
Rot. Bonds1

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

(3-amino-2,5-difluorophenyl)-(3-hydroxy-3-methylpiperidin-1-yl)methanone (PubChem CID 107121477) has the molecular formula C13H16F2N2O2 and a molecular weight of 270.28 g/mol. Its IUPAC name is (3-amino-2,5-difluorophenyl)-(3-hydroxy-3-methylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name(3-amino-2,5-difluorophenyl)-(3-hydroxy-3-methylpiperidin-1-yl)methanone
PubChem CID107121477
Molecular FormulaC13H16F2N2O2
Molecular Weight270.28 g/mol
Exact Mass270.12
IUPAC Name(3-amino-2,5-difluorophenyl)-(3-hydroxy-3-methylpiperidin-1-yl)methanone
SMILESCC1(O)CCCN(C(=O)c2cc(F)cc(N)c2F)C1
InChIInChI=1S/C13H16F2N2O2/c1-13(19)3-2-4-17(7-13)12(18)9-5-8(14)6-10(16)11(9)15/h5-6,19H,2-4,7,16H2,1H3
InChIKeyWBFOYQOAQYYQEU-UHFFFAOYSA-N
XLogP1.53
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.28
LogP ≤ 51.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(3-amino-2,5-difluorophenyl)-(4,4-dimethylazepan-1-yl)methanone
CID 107121163
(3-amino-2,5-difluorophenyl)-(2,2-dimethylthiomorpholin-4-yl)methanone
CID 107121474
(4-fluoro-2-iodophenyl)-(3-hydroxy-3-methylpiperidin-1-yl)methanone
CID 113344059
(3-amino-2,5-difluorophenyl)-(3-cyclopropyl-3-hydroxyazetidin-1-yl)methanone
CID 107210357
(3-amino-2,5-difluorophenyl)-(1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-2-yl)methanone
CID 107121033
(2-fluoro-5-sulfanylphenyl)-(3-hydroxy-3-methylpiperidin-1-yl)methanone
CID 107036045
(2-amino-5-bromo-4-pyridinyl)-(3-hydroxy-3-methylpiperidin-1-yl)methanone
CID 114194040
N-[1-(3-amino-2,5-difluorobenzoyl)piperidin-3-yl]acetamide
CID 107120711
(2,5-dichlorophenyl)-(3-hydroxy-3-methylpiperidin-1-yl)methanone
CID 113344075
(3-amino-2,5-difluorophenyl)-[4-(2-hydroxyethyl)-1,4-diazepan-1-yl]methanone
CID 107210119
(2-fluoro-4-nitrophenyl)-(3-hydroxy-3-methylpiperidin-1-yl)methanone
CID 115874836
(3-amino-2,5-difluorophenyl)-(3,4-dimethoxypyrrolidin-1-yl)methanone
CID 107121558

Frequently Asked Questions

What is the IUPAC name of (3-amino-2,5-difluorophenyl)-(3-hydroxy-3-methylpiperidin-1-yl)methanone?
The IUPAC name of (3-amino-2,5-difluorophenyl)-(3-hydroxy-3-methylpiperidin-1-yl)methanone (CID 107121477) is (3-amino-2,5-difluorophenyl)-(3-hydroxy-3-methylpiperidin-1-yl)methanone.
What is the SMILES notation for (3-amino-2,5-difluorophenyl)-(3-hydroxy-3-methylpiperidin-1-yl)methanone?
The canonical SMILES for (3-amino-2,5-difluorophenyl)-(3-hydroxy-3-methylpiperidin-1-yl)methanone is CC1(O)CCCN(C(=O)c2cc(F)cc(N)c2F)C1.
What is the InChIKey of (3-amino-2,5-difluorophenyl)-(3-hydroxy-3-methylpiperidin-1-yl)methanone?
The InChIKey is WBFOYQOAQYYQEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16F2N2O2/c1-13(19)3-2-4-17(7-13)12(18)9-5-8(14)6-10(16)11(9)15/h5-6,19H,2-4,7,16H2,1H3.
What are the key properties of (3-amino-2,5-difluorophenyl)-(3-hydroxy-3-methylpiperidin-1-yl)methanone?
(3-amino-2,5-difluorophenyl)-(3-hydroxy-3-methylpiperidin-1-yl)methanone has a molecular weight of 270.28 g/mol, XLogP of 1.53, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-amino-2,5-difluorophenyl)-(3-hydroxy-3-methylpiperidin-1-yl)methanone is sourced from PubChem (CID 107121477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).