(5-amino-2-fluoro-3-methylphenyl)-(4,4-dimethylpiperidin-1-yl)methanone

C15H21FN2O — CID 103296424

IUPAC(5-amino-2-fluoro-3-methylphenyl)-(4,4-dimethylpiperidin-1-yl)methanone
SMILESCc1cc(N)cc(C(=O)N2CCC(C)(C)CC2)c1F
InChIInChI=1S/C15H21FN2O/c1-10-8-11(17)9-12(13(10)16)14(19)18-6-4-15(2,3)5-7-18/h8-9H,4-7,17H2,1-3H3
InChIKeyDGRNVWPWHZIZKV-UHFFFAOYSA-N
MW264.34 g/mol
LogP2.98
Rot. Bonds1

About (5-amino-2-fluoro-3-methylphenyl)-(4,4-dimethylpiperidin-1-yl)methanone

(5-amino-2-fluoro-3-methylphenyl)-(4,4-dimethylpiperidin-1-yl)methanone (PubChem CID 103296424) has the molecular formula C15H21FN2O and a molecular weight of 264.34 g/mol. Its IUPAC name is (5-amino-2-fluoro-3-methylphenyl)-(4,4-dimethylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name(5-amino-2-fluoro-3-methylphenyl)-(4,4-dimethylpiperidin-1-yl)methanone
PubChem CID103296424
Molecular FormulaC15H21FN2O
Molecular Weight264.34 g/mol
Exact Mass264.16
IUPAC Name(5-amino-2-fluoro-3-methylphenyl)-(4,4-dimethylpiperidin-1-yl)methanone
SMILESCc1cc(N)cc(C(=O)N2CCC(C)(C)CC2)c1F
InChIInChI=1S/C15H21FN2O/c1-10-8-11(17)9-12(13(10)16)14(19)18-6-4-15(2,3)5-7-18/h8-9H,4-7,17H2,1-3H3
InChIKeyDGRNVWPWHZIZKV-UHFFFAOYSA-N
XLogP2.98
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.34
LogP ≤ 52.98
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

(5-amino-2-fluoro-3-methylphenyl)-piperidin-1-ylmethanone
CID 103295707
4-(5-amino-2-fluoro-3-methylbenzoyl)piperazine-1-sulfonamide
CID 103296196
N-[1-(5-amino-2-fluoro-3-methylbenzoyl)piperidin-4-yl]acetamide
CID 103296776
(5-amino-2-fluoro-3-methylphenyl)-[4-(2-hydroxyethyl)piperazin-1-yl]methanone
CID 103295916
(5-amino-2,3-dichlorophenyl)-(4,4-dimethylpiperidin-1-yl)methanone
CID 107185070
3-(3,3-dimethylpyrrolidine-1-carbonyl)-4-fluoro-5-methylbenzenesulfonyl chloride
CID 81481151
(3-amino-2,5-difluorophenyl)-(4,4-dimethylazepan-1-yl)methanone
CID 107121163
(4,4-dimethylazepan-1-yl)-(2-fluoro-3-methylphenyl)methanone
CID 80711269
(5-amino-2-fluoro-3-methylphenyl)-(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)methanone
CID 103296901
(2,4-diaminophenyl)-(4,4-dimethylpiperidin-1-yl)methanone
CID 62935991
(2-amino-5-fluoro-3-pyridinyl)-(4,4-dimethylpiperidin-1-yl)methanone
CID 114035004
(5-amino-2-fluoro-3-methylphenyl)-[2-(hydroxymethyl)piperidin-1-yl]methanone
CID 103295962

Frequently Asked Questions

What is the IUPAC name of (5-amino-2-fluoro-3-methylphenyl)-(4,4-dimethylpiperidin-1-yl)methanone?
The IUPAC name of (5-amino-2-fluoro-3-methylphenyl)-(4,4-dimethylpiperidin-1-yl)methanone (CID 103296424) is (5-amino-2-fluoro-3-methylphenyl)-(4,4-dimethylpiperidin-1-yl)methanone.
What is the SMILES notation for (5-amino-2-fluoro-3-methylphenyl)-(4,4-dimethylpiperidin-1-yl)methanone?
The canonical SMILES for (5-amino-2-fluoro-3-methylphenyl)-(4,4-dimethylpiperidin-1-yl)methanone is Cc1cc(N)cc(C(=O)N2CCC(C)(C)CC2)c1F.
What is the InChIKey of (5-amino-2-fluoro-3-methylphenyl)-(4,4-dimethylpiperidin-1-yl)methanone?
The InChIKey is DGRNVWPWHZIZKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21FN2O/c1-10-8-11(17)9-12(13(10)16)14(19)18-6-4-15(2,3)5-7-18/h8-9H,4-7,17H2,1-3H3.
What are the key properties of (5-amino-2-fluoro-3-methylphenyl)-(4,4-dimethylpiperidin-1-yl)methanone?
(5-amino-2-fluoro-3-methylphenyl)-(4,4-dimethylpiperidin-1-yl)methanone has a molecular weight of 264.34 g/mol, XLogP of 2.98, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5-amino-2-fluoro-3-methylphenyl)-(4,4-dimethylpiperidin-1-yl)methanone is sourced from PubChem (CID 103296424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).