[1-(3-chloro-4-fluorophenyl)-3-methyl-3-piperidin-1-ylbutan-2-yl]hydrazine

C16H25ClFN3 — CID 103043966

IUPAC[1-(3-chloro-4-fluorophenyl)-3-methyl-3-piperidin-1-ylbutan-2-yl]hydrazine
SMILESCC(C)(C(Cc1ccc(F)c(Cl)c1)NN)N1CCCCC1
InChIInChI=1S/C16H25ClFN3/c1-16(2,21-8-4-3-5-9-21)15(20-19)11-12-6-7-14(18)13(17)10-12/h6-7,10,15,20H,3-5,8-9,11,19H2,1-2H3
InChIKeyQSUKRJNYQAHBQZ-UHFFFAOYSA-N
MW313.85 g/mol
LogP3.12
Rot. Bonds5

About [1-(3-chloro-4-fluorophenyl)-3-methyl-3-piperidin-1-ylbutan-2-yl]hydrazine

[1-(3-chloro-4-fluorophenyl)-3-methyl-3-piperidin-1-ylbutan-2-yl]hydrazine (PubChem CID 103043966) has the molecular formula C16H25ClFN3 and a molecular weight of 313.85 g/mol. Its IUPAC name is [1-(3-chloro-4-fluorophenyl)-3-methyl-3-piperidin-1-ylbutan-2-yl]hydrazine.

Molecular Properties

Compound Name[1-(3-chloro-4-fluorophenyl)-3-methyl-3-piperidin-1-ylbutan-2-yl]hydrazine
PubChem CID103043966
Molecular FormulaC16H25ClFN3
Molecular Weight313.85 g/mol
Exact Mass313.17
IUPAC Name[1-(3-chloro-4-fluorophenyl)-3-methyl-3-piperidin-1-ylbutan-2-yl]hydrazine
SMILESCC(C)(C(Cc1ccc(F)c(Cl)c1)NN)N1CCCCC1
InChIInChI=1S/C16H25ClFN3/c1-16(2,21-8-4-3-5-9-21)15(20-19)11-12-6-7-14(18)13(17)10-12/h6-7,10,15,20H,3-5,8-9,11,19H2,1-2H3
InChIKeyQSUKRJNYQAHBQZ-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 ≤ 500313.85
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

3-(azepan-1-yl)-1-(3-chloro-4-fluorophenyl)-3-methylbutan-2-ol
CID 103039636
1-(3-chloro-4-fluorophenyl)-3-methyl-3-pyrrolidin-1-ylbutan-2-ol
CID 103039633
[1-(3,4-dimethylphenyl)-3-methyl-3-piperidin-1-ylbutan-2-yl]hydrazine
CID 105239895
[1-(2,5-dichlorophenyl)-3-methyl-3-pyrrolidin-1-ylbutan-2-yl]hydrazine
CID 105239714
[1-(3-fluorophenyl)-3-methyl-3-piperidin-1-ylbutan-2-yl]hydrazine
CID 105239805
1-(3-chloro-4-fluorophenyl)-3-methyl-3-piperidin-1-ylpentan-2-amine
CID 103040217
[3-(azepan-1-yl)-1-(4-iodophenyl)-3-methylbutan-2-yl]hydrazine
CID 105240327
1-(4-chlorophenyl)-N-ethyl-3-methyl-3-piperidin-1-ylbutan-2-amine
CID 79052033
1-(3-bromo-4-fluorophenyl)-N,3-dimethyl-3-pyrrolidin-1-ylbutan-2-amine
CID 79055889
[1-(3-chloro-4-fluorophenyl)-3-methyl-3-phenylbutan-2-yl]hydrazine
CID 103043854
[1-(furan-3-yl)-3-methyl-3-pyrrolidin-1-ylbutan-2-yl]hydrazine
CID 105239574
1-(3-chloro-4-fluorophenyl)-3-ethyl-3-pyrrolidin-1-ylpentan-2-ol
CID 103039644

Frequently Asked Questions

What is the IUPAC name of [1-(3-chloro-4-fluorophenyl)-3-methyl-3-piperidin-1-ylbutan-2-yl]hydrazine?
The IUPAC name of [1-(3-chloro-4-fluorophenyl)-3-methyl-3-piperidin-1-ylbutan-2-yl]hydrazine (CID 103043966) is [1-(3-chloro-4-fluorophenyl)-3-methyl-3-piperidin-1-ylbutan-2-yl]hydrazine.
What is the SMILES notation for [1-(3-chloro-4-fluorophenyl)-3-methyl-3-piperidin-1-ylbutan-2-yl]hydrazine?
The canonical SMILES for [1-(3-chloro-4-fluorophenyl)-3-methyl-3-piperidin-1-ylbutan-2-yl]hydrazine is CC(C)(C(Cc1ccc(F)c(Cl)c1)NN)N1CCCCC1.
What is the InChIKey of [1-(3-chloro-4-fluorophenyl)-3-methyl-3-piperidin-1-ylbutan-2-yl]hydrazine?
The InChIKey is QSUKRJNYQAHBQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25ClFN3/c1-16(2,21-8-4-3-5-9-21)15(20-19)11-12-6-7-14(18)13(17)10-12/h6-7,10,15,20H,3-5,8-9,11,19H2,1-2H3.
What are the key properties of [1-(3-chloro-4-fluorophenyl)-3-methyl-3-piperidin-1-ylbutan-2-yl]hydrazine?
[1-(3-chloro-4-fluorophenyl)-3-methyl-3-piperidin-1-ylbutan-2-yl]hydrazine has a molecular weight of 313.85 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-(3-chloro-4-fluorophenyl)-3-methyl-3-piperidin-1-ylbutan-2-yl]hydrazine is sourced from PubChem (CID 103043966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).