(3-amino-5-fluoro-4-methylphenyl)-[4-(2-hydroxyethyl)piperazin-1-yl]methanone

C14H20FN3O2 — CID 60862196

IUPAC(3-amino-5-fluoro-4-methylphenyl)-[4-(2-hydroxyethyl)piperazin-1-yl]methanone
SMILESCc1c(N)cc(C(=O)N2CCN(CCO)CC2)cc1F
InChIInChI=1S/C14H20FN3O2/c1-10-12(15)8-11(9-13(10)16)14(20)18-4-2-17(3-5-18)6-7-19/h8-9,19H,2-7,16H2,1H3
InChIKeyMERJETRACHVOET-UHFFFAOYSA-N
MW281.33 g/mol
LogP0.47
Rot. Bonds3

About (3-amino-5-fluoro-4-methylphenyl)-[4-(2-hydroxyethyl)piperazin-1-yl]methanone

(3-amino-5-fluoro-4-methylphenyl)-[4-(2-hydroxyethyl)piperazin-1-yl]methanone (PubChem CID 60862196) has the molecular formula C14H20FN3O2 and a molecular weight of 281.33 g/mol. Its IUPAC name is (3-amino-5-fluoro-4-methylphenyl)-[4-(2-hydroxyethyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name(3-amino-5-fluoro-4-methylphenyl)-[4-(2-hydroxyethyl)piperazin-1-yl]methanone
PubChem CID60862196
Molecular FormulaC14H20FN3O2
Molecular Weight281.33 g/mol
Exact Mass281.15
IUPAC Name(3-amino-5-fluoro-4-methylphenyl)-[4-(2-hydroxyethyl)piperazin-1-yl]methanone
SMILESCc1c(N)cc(C(=O)N2CCN(CCO)CC2)cc1F
InChIInChI=1S/C14H20FN3O2/c1-10-12(15)8-11(9-13(10)16)14(20)18-4-2-17(3-5-18)6-7-19/h8-9,19H,2-7,16H2,1H3
InChIKeyMERJETRACHVOET-UHFFFAOYSA-N
XLogP0.47
TPSA69.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.33
LogP ≤ 50.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(3,5-difluoro-4-hydrazinylphenyl)-[4-(2-hydroxyethyl)piperazin-1-yl]methanone
CID 63185912
4-(3-amino-5-fluoro-4-methylbenzoyl)piperazine-1-sulfonamide
CID 61140079
(3-amino-5-fluoro-4-methylphenyl)-morpholin-4-ylmethanone
CID 54927621
(3-amino-5-fluoro-4-methylphenyl)-(4-ethylpiperidin-1-yl)methanone
CID 61114338
(3-amino-4,5-dichlorophenyl)-[4-(2-hydroxyethyl)piperazin-1-yl]methanone
CID 61093236
(3-amino-5-fluoro-4-methylphenyl)-(4-ethyl-4-methylpiperidin-1-yl)methanone
CID 63156628
(3-amino-5-fluoro-4-methylphenyl)-(4-ethoxypiperidin-1-yl)methanone
CID 61218225
(3,5-difluoro-4-hydrazinylphenyl)-(4-propylpiperazin-1-yl)methanone
CID 63186501
methyl 1-(3-amino-5-fluoro-4-methylbenzoyl)piperidine-4-carboxylate
CID 61118032
(5-amino-2-fluoro-3-methylphenyl)-[4-(2-hydroxyethyl)piperazin-1-yl]methanone
CID 103295916
(3-amino-5-fluoro-4-methylphenyl)-(2,6-dimethylmorpholin-4-yl)methanone
CID 60862183
(2-amino-5-methylphenyl)-[4-(2-hydroxyethyl)piperazin-1-yl]methanone
CID 55083080

Frequently Asked Questions

What is the IUPAC name of (3-amino-5-fluoro-4-methylphenyl)-[4-(2-hydroxyethyl)piperazin-1-yl]methanone?
The IUPAC name of (3-amino-5-fluoro-4-methylphenyl)-[4-(2-hydroxyethyl)piperazin-1-yl]methanone (CID 60862196) is (3-amino-5-fluoro-4-methylphenyl)-[4-(2-hydroxyethyl)piperazin-1-yl]methanone.
What is the SMILES notation for (3-amino-5-fluoro-4-methylphenyl)-[4-(2-hydroxyethyl)piperazin-1-yl]methanone?
The canonical SMILES for (3-amino-5-fluoro-4-methylphenyl)-[4-(2-hydroxyethyl)piperazin-1-yl]methanone is Cc1c(N)cc(C(=O)N2CCN(CCO)CC2)cc1F.
What is the InChIKey of (3-amino-5-fluoro-4-methylphenyl)-[4-(2-hydroxyethyl)piperazin-1-yl]methanone?
The InChIKey is MERJETRACHVOET-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20FN3O2/c1-10-12(15)8-11(9-13(10)16)14(20)18-4-2-17(3-5-18)6-7-19/h8-9,19H,2-7,16H2,1H3.
What are the key properties of (3-amino-5-fluoro-4-methylphenyl)-[4-(2-hydroxyethyl)piperazin-1-yl]methanone?
(3-amino-5-fluoro-4-methylphenyl)-[4-(2-hydroxyethyl)piperazin-1-yl]methanone has a molecular weight of 281.33 g/mol, XLogP of 0.47, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-amino-5-fluoro-4-methylphenyl)-[4-(2-hydroxyethyl)piperazin-1-yl]methanone is sourced from PubChem (CID 60862196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).