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

C14H19FN2O — CID 60861512

IUPAC(3-amino-5-fluoro-4-methylphenyl)-(2-methylpiperidin-1-yl)methanone
SMILESCc1c(N)cc(C(=O)N2CCCCC2C)cc1F
InChIInChI=1S/C14H19FN2O/c1-9-5-3-4-6-17(9)14(18)11-7-12(15)10(2)13(16)8-11/h7-9H,3-6,16H2,1-2H3
InChIKeySGACOSPMFCLMNR-UHFFFAOYSA-N
MW250.32 g/mol
LogP2.73
Rot. Bonds1

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

(3-amino-5-fluoro-4-methylphenyl)-(2-methylpiperidin-1-yl)methanone (PubChem CID 60861512) has the molecular formula C14H19FN2O and a molecular weight of 250.32 g/mol. Its IUPAC name is (3-amino-5-fluoro-4-methylphenyl)-(2-methylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name(3-amino-5-fluoro-4-methylphenyl)-(2-methylpiperidin-1-yl)methanone
PubChem CID60861512
Molecular FormulaC14H19FN2O
Molecular Weight250.32 g/mol
Exact Mass250.15
IUPAC Name(3-amino-5-fluoro-4-methylphenyl)-(2-methylpiperidin-1-yl)methanone
SMILESCc1c(N)cc(C(=O)N2CCCCC2C)cc1F
InChIInChI=1S/C14H19FN2O/c1-9-5-3-4-6-17(9)14(18)11-7-12(15)10(2)13(16)8-11/h7-9H,3-6,16H2,1-2H3
InChIKeySGACOSPMFCLMNR-UHFFFAOYSA-N
XLogP2.73
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.32
LogP ≤ 52.73
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

3-fluoro-2-methyl-5-(2-methylpiperidine-1-carbonyl)benzenesulfonyl chloride
CID 65368363
(2,3-difluoro-5-methylphenyl)-(2-methylpiperidin-1-yl)methanone
CID 593303
[3,5-difluoro-4-(propylamino)phenyl]-(2-methylpiperidin-1-yl)methanone
CID 63187265
(4-aminophenyl)-[(2S)-2-methylpiperidin-1-yl]methanone
CID 713107
methyl 1-(3-amino-5-fluoro-4-methylbenzoyl)piperidine-4-carboxylate
CID 61118032
[(2S)-2-methylpiperidin-1-yl]-(3,4,5-trichlorophenyl)methanone
CID 94861975
[3-fluoro-5-[(2S)-2-methylpiperidine-1-carbonyl]phenyl]boronic acid
CID 99738102
(3-amino-5-fluoro-4-methylphenyl)-(4-ethylpiperidin-1-yl)methanone
CID 61114338
[3,5-dichloro-4-[(2R)-2-methylpiperidine-1-carbonyl]phenyl]-[(2R)-2-methylpiperidin-1-yl]methanone
CID 94071084
(3-amino-2-methylphenyl)-[(2S)-2-methylpiperidin-1-yl]methanone
CID 40788930
(5-amino-3-pyridinyl)-(2-methylpiperidin-1-yl)methanone
CID 102568289
(3-amino-5-fluoro-4-methylphenyl)-(2,6-dimethylmorpholin-4-yl)methanone
CID 60862183

Frequently Asked Questions

What is the IUPAC name of (3-amino-5-fluoro-4-methylphenyl)-(2-methylpiperidin-1-yl)methanone?
The IUPAC name of (3-amino-5-fluoro-4-methylphenyl)-(2-methylpiperidin-1-yl)methanone (CID 60861512) is (3-amino-5-fluoro-4-methylphenyl)-(2-methylpiperidin-1-yl)methanone.
What is the SMILES notation for (3-amino-5-fluoro-4-methylphenyl)-(2-methylpiperidin-1-yl)methanone?
The canonical SMILES for (3-amino-5-fluoro-4-methylphenyl)-(2-methylpiperidin-1-yl)methanone is Cc1c(N)cc(C(=O)N2CCCCC2C)cc1F.
What is the InChIKey of (3-amino-5-fluoro-4-methylphenyl)-(2-methylpiperidin-1-yl)methanone?
The InChIKey is SGACOSPMFCLMNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19FN2O/c1-9-5-3-4-6-17(9)14(18)11-7-12(15)10(2)13(16)8-11/h7-9H,3-6,16H2,1-2H3.
What are the key properties of (3-amino-5-fluoro-4-methylphenyl)-(2-methylpiperidin-1-yl)methanone?
(3-amino-5-fluoro-4-methylphenyl)-(2-methylpiperidin-1-yl)methanone has a molecular weight of 250.32 g/mol, XLogP of 2.73, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-amino-5-fluoro-4-methylphenyl)-(2-methylpiperidin-1-yl)methanone is sourced from PubChem (CID 60861512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).