1-(2-bromo-6-cyanophenyl)piperidine-4-carbohydrazide

C13H15BrN4O — CID 169246758

IUPAC1-(2-bromo-6-cyanophenyl)piperidine-4-carbohydrazide
SMILESN#Cc1cccc(Br)c1N1CCC(C(=O)NN)CC1
InChIInChI=1S/C13H15BrN4O/c14-11-3-1-2-10(8-15)12(11)18-6-4-9(5-7-18)13(19)17-16/h1-3,9H,4-7,16H2,(H,17,19)
InChIKeyFHDBRLVJTYQTQB-UHFFFAOYSA-N
MW323.19 g/mol
LogP1.53
Rot. Bonds2

About 1-(2-bromo-6-cyanophenyl)piperidine-4-carbohydrazide

1-(2-bromo-6-cyanophenyl)piperidine-4-carbohydrazide (PubChem CID 169246758) has the molecular formula C13H15BrN4O and a molecular weight of 323.19 g/mol. Its IUPAC name is 1-(2-bromo-6-cyanophenyl)piperidine-4-carbohydrazide.

Molecular Properties

Compound Name1-(2-bromo-6-cyanophenyl)piperidine-4-carbohydrazide
PubChem CID169246758
Molecular FormulaC13H15BrN4O
Molecular Weight323.19 g/mol
Exact Mass322.04
IUPAC Name1-(2-bromo-6-cyanophenyl)piperidine-4-carbohydrazide
SMILESN#Cc1cccc(Br)c1N1CCC(C(=O)NN)CC1
InChIInChI=1S/C13H15BrN4O/c14-11-3-1-2-10(8-15)12(11)18-6-4-9(5-7-18)13(19)17-16/h1-3,9H,4-7,16H2,(H,17,19)
InChIKeyFHDBRLVJTYQTQB-UHFFFAOYSA-N
XLogP1.53
TPSA82.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.19
LogP ≤ 51.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(2-bromo-6-cyanophenyl)piperidine-4-carbohydrazide?
The IUPAC name of 1-(2-bromo-6-cyanophenyl)piperidine-4-carbohydrazide (CID 169246758) is 1-(2-bromo-6-cyanophenyl)piperidine-4-carbohydrazide.
What is the SMILES notation for 1-(2-bromo-6-cyanophenyl)piperidine-4-carbohydrazide?
The canonical SMILES for 1-(2-bromo-6-cyanophenyl)piperidine-4-carbohydrazide is N#Cc1cccc(Br)c1N1CCC(C(=O)NN)CC1.
What is the InChIKey of 1-(2-bromo-6-cyanophenyl)piperidine-4-carbohydrazide?
The InChIKey is FHDBRLVJTYQTQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15BrN4O/c14-11-3-1-2-10(8-15)12(11)18-6-4-9(5-7-18)13(19)17-16/h1-3,9H,4-7,16H2,(H,17,19).
What are the key properties of 1-(2-bromo-6-cyanophenyl)piperidine-4-carbohydrazide?
1-(2-bromo-6-cyanophenyl)piperidine-4-carbohydrazide has a molecular weight of 323.19 g/mol, XLogP of 1.53, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromo-6-cyanophenyl)piperidine-4-carbohydrazide is sourced from PubChem (CID 169246758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).