(3-fluoro-2-hydrazinylphenyl)-(4-propan-2-ylpiperazin-1-yl)methanone

C14H21FN4O — CID 62660994

IUPAC(3-fluoro-2-hydrazinylphenyl)-(4-propan-2-ylpiperazin-1-yl)methanone
SMILESCC(C)N1CCN(C(=O)c2cccc(F)c2NN)CC1
InChIInChI=1S/C14H21FN4O/c1-10(2)18-6-8-19(9-7-18)14(20)11-4-3-5-12(15)13(11)17-16/h3-5,10,17H,6-9,16H2,1-2H3
InChIKeyARVFKZPNZMZTCC-UHFFFAOYSA-N
MW280.35 g/mol
LogP1.28
Rot. Bonds3

About (3-fluoro-2-hydrazinylphenyl)-(4-propan-2-ylpiperazin-1-yl)methanone

(3-fluoro-2-hydrazinylphenyl)-(4-propan-2-ylpiperazin-1-yl)methanone (PubChem CID 62660994) has the molecular formula C14H21FN4O and a molecular weight of 280.35 g/mol. Its IUPAC name is (3-fluoro-2-hydrazinylphenyl)-(4-propan-2-ylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name(3-fluoro-2-hydrazinylphenyl)-(4-propan-2-ylpiperazin-1-yl)methanone
PubChem CID62660994
Molecular FormulaC14H21FN4O
Molecular Weight280.35 g/mol
Exact Mass280.17
IUPAC Name(3-fluoro-2-hydrazinylphenyl)-(4-propan-2-ylpiperazin-1-yl)methanone
SMILESCC(C)N1CCN(C(=O)c2cccc(F)c2NN)CC1
InChIInChI=1S/C14H21FN4O/c1-10(2)18-6-8-19(9-7-18)14(20)11-4-3-5-12(15)13(11)17-16/h3-5,10,17H,6-9,16H2,1-2H3
InChIKeyARVFKZPNZMZTCC-UHFFFAOYSA-N
XLogP1.28
TPSA61.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.35
LogP ≤ 51.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze (3-fluoro-2-hydrazinylphenyl)-(4-propan-2-ylpiperazin-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

(3,5-dimethylpiperidin-1-yl)-(3-fluoro-2-hydrazinylphenyl)methanone
CID 55100115
3,4-dihydro-1H-isoquinolin-2-yl-(3-fluoro-2-hydrazinylphenyl)methanone
CID 62661303
3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl-(3-fluoro-2-hydrazinylphenyl)methanone
CID 113336142
(3-fluoro-2-hydrazinylphenyl)-(2-methyl-1,4-oxazepan-4-yl)methanone
CID 62968377
3-fluoro-2-hydrazinylbenzoic acid
CID 82007573
(2-amino-3-fluorophenyl)-(4-butan-2-ylpiperazin-1-yl)methanone
CID 62775760
(2-iodo-3-methylphenyl)-(4-propan-2-ylpiperazin-1-yl)methanone
CID 47039262
[2-(propan-2-ylamino)phenyl]-(4-propan-2-ylpiperazin-1-yl)methanone
CID 63107797
(3-bromo-2-chlorophenyl)-(4-propan-2-ylpiperazin-1-yl)methanone
CID 103994515
(5-bromonaphthalen-1-yl)-(4-propan-2-ylpiperazin-1-yl)methanone
CID 171661821
(4-bromo-2-fluorophenyl)-(4-propan-2-ylpiperazin-1-yl)methanone
CID 43420911
(3-hydrazinyl-4-pyridinyl)-(4-propan-2-ylpiperazin-1-yl)methanone
CID 105072063

Frequently Asked Questions

What is the IUPAC name of (3-fluoro-2-hydrazinylphenyl)-(4-propan-2-ylpiperazin-1-yl)methanone?
The IUPAC name of (3-fluoro-2-hydrazinylphenyl)-(4-propan-2-ylpiperazin-1-yl)methanone (CID 62660994) is (3-fluoro-2-hydrazinylphenyl)-(4-propan-2-ylpiperazin-1-yl)methanone.
What is the SMILES notation for (3-fluoro-2-hydrazinylphenyl)-(4-propan-2-ylpiperazin-1-yl)methanone?
The canonical SMILES for (3-fluoro-2-hydrazinylphenyl)-(4-propan-2-ylpiperazin-1-yl)methanone is CC(C)N1CCN(C(=O)c2cccc(F)c2NN)CC1.
What is the InChIKey of (3-fluoro-2-hydrazinylphenyl)-(4-propan-2-ylpiperazin-1-yl)methanone?
The InChIKey is ARVFKZPNZMZTCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21FN4O/c1-10(2)18-6-8-19(9-7-18)14(20)11-4-3-5-12(15)13(11)17-16/h3-5,10,17H,6-9,16H2,1-2H3.
What are the key properties of (3-fluoro-2-hydrazinylphenyl)-(4-propan-2-ylpiperazin-1-yl)methanone?
(3-fluoro-2-hydrazinylphenyl)-(4-propan-2-ylpiperazin-1-yl)methanone has a molecular weight of 280.35 g/mol, XLogP of 1.28, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-fluoro-2-hydrazinylphenyl)-(4-propan-2-ylpiperazin-1-yl)methanone is sourced from PubChem (CID 62660994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).