[(1,4-dimethyl-1,4-diazepan-2-yl)-(4-fluorophenyl)methyl]hydrazine

C14H23FN4 — CID 105261273

IUPAC[(1,4-dimethyl-1,4-diazepan-2-yl)-(4-fluorophenyl)methyl]hydrazine
SMILESCN1CCCN(C)C(C(NN)c2ccc(F)cc2)C1
InChIInChI=1S/C14H23FN4/c1-18-8-3-9-19(2)13(10-18)14(17-16)11-4-6-12(15)7-5-11/h4-7,13-14,17H,3,8-10,16H2,1-2H3
InChIKeyOVYRYSYTKUMSJC-UHFFFAOYSA-N
MW266.36 g/mol
LogP0.97
Rot. Bonds3

About [(1,4-dimethyl-1,4-diazepan-2-yl)-(4-fluorophenyl)methyl]hydrazine

[(1,4-dimethyl-1,4-diazepan-2-yl)-(4-fluorophenyl)methyl]hydrazine (PubChem CID 105261273) has the molecular formula C14H23FN4 and a molecular weight of 266.36 g/mol. Its IUPAC name is [(1,4-dimethyl-1,4-diazepan-2-yl)-(4-fluorophenyl)methyl]hydrazine.

Molecular Properties

Compound Name[(1,4-dimethyl-1,4-diazepan-2-yl)-(4-fluorophenyl)methyl]hydrazine
PubChem CID105261273
Molecular FormulaC14H23FN4
Molecular Weight266.36 g/mol
Exact Mass266.19
IUPAC Name[(1,4-dimethyl-1,4-diazepan-2-yl)-(4-fluorophenyl)methyl]hydrazine
SMILESCN1CCCN(C)C(C(NN)c2ccc(F)cc2)C1
InChIInChI=1S/C14H23FN4/c1-18-8-3-9-19(2)13(10-18)14(17-16)11-4-6-12(15)7-5-11/h4-7,13-14,17H,3,8-10,16H2,1-2H3
InChIKeyOVYRYSYTKUMSJC-UHFFFAOYSA-N
XLogP0.97
TPSA44.53 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.36
LogP ≤ 50.97
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

[(4-chlorophenyl)-(1,4-dimethyl-1,4-diazepan-2-yl)methyl]hydrazine
CID 105261246
[(1,4-dimethyl-1,4-diazepan-2-yl)-(4-propylphenyl)methyl]hydrazine
CID 105261179
[(1,4-dimethyl-1,4-diazepan-2-yl)-(3,5-dimethylphenyl)methyl]hydrazine
CID 105261347
[(1,4-dimethylpiperazin-2-yl)-(4-methylphenyl)methyl]hydrazine
CID 105247203
[(1,4-dimethyl-1,4-diazepan-2-yl)-pyrimidin-5-ylmethyl]hydrazine
CID 105261200
[(4-tert-butylphenyl)-(1,4-dimethylpiperazin-2-yl)methyl]hydrazine
CID 105247429
[(5-bromo-2-fluorophenyl)-(1,4-dimethyl-1,4-diazepan-2-yl)methyl]hydrazine
CID 105261300
[2,3-dihydro-1-benzofuran-5-yl-(1,4-dimethyl-1,4-diazepan-2-yl)methyl]hydrazine
CID 105261360
[(1,4-dimethyl-1,4-diazepan-2-yl)-(3-methylthiophen-2-yl)methyl]hydrazine
CID 105261282
[(1,4-dimethylpiperazin-2-yl)-(5-fluoro-3-pyridinyl)methyl]hydrazine
CID 105247363
[1-(1,4-dimethyl-1,4-diazepan-2-yl)-2-(4-fluoro-2-methylphenyl)ethyl]hydrazine
CID 105261332
[(1,4-dimethyl-1,4-diazepan-2-yl)-(1-methylimidazol-2-yl)methyl]hydrazine
CID 105261259

Frequently Asked Questions

What is the IUPAC name of [(1,4-dimethyl-1,4-diazepan-2-yl)-(4-fluorophenyl)methyl]hydrazine?
The IUPAC name of [(1,4-dimethyl-1,4-diazepan-2-yl)-(4-fluorophenyl)methyl]hydrazine (CID 105261273) is [(1,4-dimethyl-1,4-diazepan-2-yl)-(4-fluorophenyl)methyl]hydrazine.
What is the SMILES notation for [(1,4-dimethyl-1,4-diazepan-2-yl)-(4-fluorophenyl)methyl]hydrazine?
The canonical SMILES for [(1,4-dimethyl-1,4-diazepan-2-yl)-(4-fluorophenyl)methyl]hydrazine is CN1CCCN(C)C(C(NN)c2ccc(F)cc2)C1.
What is the InChIKey of [(1,4-dimethyl-1,4-diazepan-2-yl)-(4-fluorophenyl)methyl]hydrazine?
The InChIKey is OVYRYSYTKUMSJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23FN4/c1-18-8-3-9-19(2)13(10-18)14(17-16)11-4-6-12(15)7-5-11/h4-7,13-14,17H,3,8-10,16H2,1-2H3.
What are the key properties of [(1,4-dimethyl-1,4-diazepan-2-yl)-(4-fluorophenyl)methyl]hydrazine?
[(1,4-dimethyl-1,4-diazepan-2-yl)-(4-fluorophenyl)methyl]hydrazine has a molecular weight of 266.36 g/mol, XLogP of 0.97, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(1,4-dimethyl-1,4-diazepan-2-yl)-(4-fluorophenyl)methyl]hydrazine is sourced from PubChem (CID 105261273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).