(2-amino-3-fluorophenyl)-(4-ethylpiperidin-1-yl)methanone

C14H19FN2O — CID 62662648

IUPAC(2-amino-3-fluorophenyl)-(4-ethylpiperidin-1-yl)methanone
SMILESCCC1CCN(C(=O)c2cccc(F)c2N)CC1
InChIInChI=1S/C14H19FN2O/c1-2-10-6-8-17(9-7-10)14(18)11-4-3-5-12(15)13(11)16/h3-5,10H,2,6-9,16H2,1H3
InChIKeyHSOMTBNMYXFSRI-UHFFFAOYSA-N
MW250.32 g/mol
LogP2.67
Rot. Bonds2

About (2-amino-3-fluorophenyl)-(4-ethylpiperidin-1-yl)methanone

(2-amino-3-fluorophenyl)-(4-ethylpiperidin-1-yl)methanone (PubChem CID 62662648) has the molecular formula C14H19FN2O and a molecular weight of 250.32 g/mol. Its IUPAC name is (2-amino-3-fluorophenyl)-(4-ethylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name(2-amino-3-fluorophenyl)-(4-ethylpiperidin-1-yl)methanone
PubChem CID62662648
Molecular FormulaC14H19FN2O
Molecular Weight250.32 g/mol
Exact Mass250.15
IUPAC Name(2-amino-3-fluorophenyl)-(4-ethylpiperidin-1-yl)methanone
SMILESCCC1CCN(C(=O)c2cccc(F)c2N)CC1
InChIInChI=1S/C14H19FN2O/c1-2-10-6-8-17(9-7-10)14(18)11-4-3-5-12(15)13(11)16/h3-5,10H,2,6-9,16H2,1H3
InChIKeyHSOMTBNMYXFSRI-UHFFFAOYSA-N
XLogP2.67
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.32
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (2-amino-3-fluorophenyl)-(4-ethylpiperidin-1-yl)methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2-amino-3-fluorophenyl)-[3-(hydroxymethyl)pyrrolidin-1-yl]methanone
CID 112625110
ethyl 1-(2-amino-3-fluorobenzoyl)piperidine-4-carboxylate
CID 80503441
(2-amino-3-nitrophenyl)-(4-ethylpiperidin-1-yl)methanone
CID 115678709
(2-amino-3-fluorophenyl)-pyrrolidin-1-ylmethanone
CID 62650888
(2-amino-3-fluorophenyl)-(4-butan-2-ylpiperazin-1-yl)methanone
CID 62775760
(2-amino-3-nitrophenyl)-(4-ethylazepan-1-yl)methanone
CID 115679111
(2-amino-3-fluorophenyl)-thiomorpholin-4-ylmethanone
CID 62650571
(2-amino-3-methylphenyl)-[4-(hydroxymethyl)piperidin-1-yl]methanone
CID 43133107
[4-(benzenesulfonylmethyl)piperidin-1-yl]-(2-fluorophenyl)methanone
CID 110661954
(3-aminophenyl)-(4-ethylpiperidin-1-yl)methanone;hydrochloride
CID 119741661
(2-amino-6-methylphenyl)-(4-ethylpiperidin-1-yl)methanone
CID 61116229
(2-fluorophenyl)-[4-(methoxymethyl)piperidin-1-yl]methanone
CID 63977657

Frequently Asked Questions

What is the IUPAC name of (2-amino-3-fluorophenyl)-(4-ethylpiperidin-1-yl)methanone?
The IUPAC name of (2-amino-3-fluorophenyl)-(4-ethylpiperidin-1-yl)methanone (CID 62662648) is (2-amino-3-fluorophenyl)-(4-ethylpiperidin-1-yl)methanone.
What is the SMILES notation for (2-amino-3-fluorophenyl)-(4-ethylpiperidin-1-yl)methanone?
The canonical SMILES for (2-amino-3-fluorophenyl)-(4-ethylpiperidin-1-yl)methanone is CCC1CCN(C(=O)c2cccc(F)c2N)CC1.
What is the InChIKey of (2-amino-3-fluorophenyl)-(4-ethylpiperidin-1-yl)methanone?
The InChIKey is HSOMTBNMYXFSRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19FN2O/c1-2-10-6-8-17(9-7-10)14(18)11-4-3-5-12(15)13(11)16/h3-5,10H,2,6-9,16H2,1H3.
What are the key properties of (2-amino-3-fluorophenyl)-(4-ethylpiperidin-1-yl)methanone?
(2-amino-3-fluorophenyl)-(4-ethylpiperidin-1-yl)methanone has a molecular weight of 250.32 g/mol, XLogP of 2.67, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-amino-3-fluorophenyl)-(4-ethylpiperidin-1-yl)methanone is sourced from PubChem (CID 62662648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).