[1-(2,4-difluorophenyl)-2-methyl-2-piperidin-1-ylbutyl]hydrazine

C16H25F2N3 — CID 105241349

IUPAC[1-(2,4-difluorophenyl)-2-methyl-2-piperidin-1-ylbutyl]hydrazine
SMILESCCC(C)(C(NN)c1ccc(F)cc1F)N1CCCCC1
InChIInChI=1S/C16H25F2N3/c1-3-16(2,21-9-5-4-6-10-21)15(20-19)13-8-7-12(17)11-14(13)18/h7-8,11,15,20H,3-6,9-10,19H2,1-2H3
InChIKeyFIBOMXXKJXTVAK-UHFFFAOYSA-N
MW297.39 g/mol
LogP3.12
Rot. Bonds5

About [1-(2,4-difluorophenyl)-2-methyl-2-piperidin-1-ylbutyl]hydrazine

[1-(2,4-difluorophenyl)-2-methyl-2-piperidin-1-ylbutyl]hydrazine (PubChem CID 105241349) has the molecular formula C16H25F2N3 and a molecular weight of 297.39 g/mol. Its IUPAC name is [1-(2,4-difluorophenyl)-2-methyl-2-piperidin-1-ylbutyl]hydrazine.

Molecular Properties

Compound Name[1-(2,4-difluorophenyl)-2-methyl-2-piperidin-1-ylbutyl]hydrazine
PubChem CID105241349
Molecular FormulaC16H25F2N3
Molecular Weight297.39 g/mol
Exact Mass297.20
IUPAC Name[1-(2,4-difluorophenyl)-2-methyl-2-piperidin-1-ylbutyl]hydrazine
SMILESCCC(C)(C(NN)c1ccc(F)cc1F)N1CCCCC1
InChIInChI=1S/C16H25F2N3/c1-3-16(2,21-9-5-4-6-10-21)15(20-19)13-8-7-12(17)11-14(13)18/h7-8,11,15,20H,3-6,9-10,19H2,1-2H3
InChIKeyFIBOMXXKJXTVAK-UHFFFAOYSA-N
XLogP3.12
TPSA41.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.39
LogP ≤ 53.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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

[1-(2-fluoro-4-methoxyphenyl)-2-methyl-2-pyrrolidin-1-ylbutyl]hydrazine
CID 103397603
[1-(5-bromo-2-fluorophenyl)-2-methyl-2-piperidin-1-ylbutyl]hydrazine
CID 105241371
[1-(3-fluoro-5-methylphenyl)-2-methyl-2-pyrrolidin-1-ylbutyl]hydrazine
CID 105241230
1-(2,5-difluorophenyl)-2-methyl-2-piperidin-1-ylbutan-1-amine
CID 79065070
[2-methyl-2-pyrrolidin-1-yl-1-(2,4,5-trimethylphenyl)butyl]hydrazine
CID 105241178
[1-(3,5-dimethylphenyl)-2-methyl-2-pyrrolidin-1-ylbutyl]hydrazine
CID 105241209
[1-(4-fluoro-2-methylphenyl)-3-methyl-3-pyrrolidin-1-ylpentan-2-yl]hydrazine
CID 105241193
[1-(4-ethylphenyl)-2-methyl-2-pyrrolidin-1-ylbutyl]hydrazine
CID 105241199
[1-(5-fluoro-2-methylphenyl)-3-methyl-3-pyrrolidin-1-ylpentan-2-yl]hydrazine
CID 105377856
[2-(azepan-1-yl)-1-(2-chloro-5-fluorophenyl)-2-methylpropyl]hydrazine
CID 105397880
[1-(furan-3-yl)-2-methyl-2-piperidin-1-ylbutyl]hydrazine
CID 105241401
1-(2-chloro-5-fluorophenyl)-2-methyl-2-pyrrolidin-1-ylbutan-1-amine
CID 105395170

Frequently Asked Questions

What is the IUPAC name of [1-(2,4-difluorophenyl)-2-methyl-2-piperidin-1-ylbutyl]hydrazine?
The IUPAC name of [1-(2,4-difluorophenyl)-2-methyl-2-piperidin-1-ylbutyl]hydrazine (CID 105241349) is [1-(2,4-difluorophenyl)-2-methyl-2-piperidin-1-ylbutyl]hydrazine.
What is the SMILES notation for [1-(2,4-difluorophenyl)-2-methyl-2-piperidin-1-ylbutyl]hydrazine?
The canonical SMILES for [1-(2,4-difluorophenyl)-2-methyl-2-piperidin-1-ylbutyl]hydrazine is CCC(C)(C(NN)c1ccc(F)cc1F)N1CCCCC1.
What is the InChIKey of [1-(2,4-difluorophenyl)-2-methyl-2-piperidin-1-ylbutyl]hydrazine?
The InChIKey is FIBOMXXKJXTVAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25F2N3/c1-3-16(2,21-9-5-4-6-10-21)15(20-19)13-8-7-12(17)11-14(13)18/h7-8,11,15,20H,3-6,9-10,19H2,1-2H3.
What are the key properties of [1-(2,4-difluorophenyl)-2-methyl-2-piperidin-1-ylbutyl]hydrazine?
[1-(2,4-difluorophenyl)-2-methyl-2-piperidin-1-ylbutyl]hydrazine has a molecular weight of 297.39 g/mol, XLogP of 3.12, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2,4-difluorophenyl)-2-methyl-2-piperidin-1-ylbutyl]hydrazine is sourced from PubChem (CID 105241349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).