(3,5-difluoro-4-hydrazinylphenyl)-(4-propylpiperazin-1-yl)methanone

C14H20F2N4O — CID 63186501

IUPAC(3,5-difluoro-4-hydrazinylphenyl)-(4-propylpiperazin-1-yl)methanone
SMILESCCCN1CCN(C(=O)c2cc(F)c(NN)c(F)c2)CC1
InChIInChI=1S/C14H20F2N4O/c1-2-3-19-4-6-20(7-5-19)14(21)10-8-11(15)13(18-17)12(16)9-10/h8-9,18H,2-7,17H2,1H3
InChIKeyMYELXOJTGTVNOO-UHFFFAOYSA-N
MW298.34 g/mol
LogP1.42
Rot. Bonds4

About (3,5-difluoro-4-hydrazinylphenyl)-(4-propylpiperazin-1-yl)methanone

(3,5-difluoro-4-hydrazinylphenyl)-(4-propylpiperazin-1-yl)methanone (PubChem CID 63186501) has the molecular formula C14H20F2N4O and a molecular weight of 298.34 g/mol. Its IUPAC name is (3,5-difluoro-4-hydrazinylphenyl)-(4-propylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name(3,5-difluoro-4-hydrazinylphenyl)-(4-propylpiperazin-1-yl)methanone
PubChem CID63186501
Molecular FormulaC14H20F2N4O
Molecular Weight298.34 g/mol
Exact Mass298.16
IUPAC Name(3,5-difluoro-4-hydrazinylphenyl)-(4-propylpiperazin-1-yl)methanone
SMILESCCCN1CCN(C(=O)c2cc(F)c(NN)c(F)c2)CC1
InChIInChI=1S/C14H20F2N4O/c1-2-3-19-4-6-20(7-5-19)14(21)10-8-11(15)13(18-17)12(16)9-10/h8-9,18H,2-7,17H2,1H3
InChIKeyMYELXOJTGTVNOO-UHFFFAOYSA-N
XLogP1.42
TPSA61.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.34
LogP ≤ 51.42
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'}

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Related Compounds

(3,5-difluoro-4-hydrazinylphenyl)-[4-(2-hydroxyethyl)piperazin-1-yl]methanone
CID 63185912
(3,5-difluoro-4-hydrazinylphenyl)-(4-methyl-1,4-diazepan-1-yl)methanone
CID 63185956
[3,5-difluoro-4-(propylamino)phenyl]-(4-methylpiperazin-1-yl)methanone
CID 63187434
(3,5-difluoro-4-hydrazinylphenyl)-[4-(methoxymethyl)piperidin-1-yl]methanone
CID 63978081
(3-amino-5-fluoro-4-methylphenyl)-[4-(2-hydroxyethyl)piperazin-1-yl]methanone
CID 60862196
[4-(4-aminobutyl)piperazin-1-yl]-(3,5-difluorophenyl)methanone
CID 43251809
[4-(ethylamino)-3,5-difluorophenyl]-(4-methyl-1,4-diazepan-1-yl)methanone
CID 63183541
3-(4-propylpiperazine-1-carbonyl)benzoic acid
CID 43452662
(2-fluoro-5-methylphenyl)-(4-propylpiperazin-1-yl)methanone
CID 62508835
(3-fluoro-2-hydrazinyl-4-pyridinyl)-(4-propylpiperazin-1-yl)methanone
CID 105387852
(4-propylpiperazin-1-yl)-(1H-pyrazol-4-yl)methanone
CID 43582709
(3,5-difluoro-4-hydrazinylphenyl)-[3-(methoxymethyl)piperidin-1-yl]methanone
CID 106588873

Frequently Asked Questions

What is the IUPAC name of (3,5-difluoro-4-hydrazinylphenyl)-(4-propylpiperazin-1-yl)methanone?
The IUPAC name of (3,5-difluoro-4-hydrazinylphenyl)-(4-propylpiperazin-1-yl)methanone (CID 63186501) is (3,5-difluoro-4-hydrazinylphenyl)-(4-propylpiperazin-1-yl)methanone.
What is the SMILES notation for (3,5-difluoro-4-hydrazinylphenyl)-(4-propylpiperazin-1-yl)methanone?
The canonical SMILES for (3,5-difluoro-4-hydrazinylphenyl)-(4-propylpiperazin-1-yl)methanone is CCCN1CCN(C(=O)c2cc(F)c(NN)c(F)c2)CC1.
What is the InChIKey of (3,5-difluoro-4-hydrazinylphenyl)-(4-propylpiperazin-1-yl)methanone?
The InChIKey is MYELXOJTGTVNOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20F2N4O/c1-2-3-19-4-6-20(7-5-19)14(21)10-8-11(15)13(18-17)12(16)9-10/h8-9,18H,2-7,17H2,1H3.
What are the key properties of (3,5-difluoro-4-hydrazinylphenyl)-(4-propylpiperazin-1-yl)methanone?
(3,5-difluoro-4-hydrazinylphenyl)-(4-propylpiperazin-1-yl)methanone has a molecular weight of 298.34 g/mol, XLogP of 1.42, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3,5-difluoro-4-hydrazinylphenyl)-(4-propylpiperazin-1-yl)methanone is sourced from PubChem (CID 63186501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).