1-tert-butyl-5-fluoropiperidine-3-carbohydrazide

C10H20FN3O — CID 175863136

IUPAC1-tert-butyl-5-fluoropiperidine-3-carbohydrazide
SMILESCC(C)(C)N1CC(F)CC(C(=O)NN)C1
InChIInChI=1S/C10H20FN3O/c1-10(2,3)14-5-7(9(15)13-12)4-8(11)6-14/h7-8H,4-6,12H2,1-3H3,(H,13,15)
InChIKeyRGEKVQAXRMTKJG-UHFFFAOYSA-N
MW217.29 g/mol
LogP0.43
Rot. Bonds1

About 1-tert-butyl-5-fluoropiperidine-3-carbohydrazide

1-tert-butyl-5-fluoropiperidine-3-carbohydrazide (PubChem CID 175863136) has the molecular formula C10H20FN3O and a molecular weight of 217.29 g/mol. Its IUPAC name is 1-tert-butyl-5-fluoropiperidine-3-carbohydrazide.

Molecular Properties

Compound Name1-tert-butyl-5-fluoropiperidine-3-carbohydrazide
PubChem CID175863136
Molecular FormulaC10H20FN3O
Molecular Weight217.29 g/mol
Exact Mass217.16
IUPAC Name1-tert-butyl-5-fluoropiperidine-3-carbohydrazide
SMILESCC(C)(C)N1CC(F)CC(C(=O)NN)C1
InChIInChI=1S/C10H20FN3O/c1-10(2,3)14-5-7(9(15)13-12)4-8(11)6-14/h7-8H,4-6,12H2,1-3H3,(H,13,15)
InChIKeyRGEKVQAXRMTKJG-UHFFFAOYSA-N
XLogP0.43
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.29
LogP ≤ 50.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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'}

Analyze 1-tert-butyl-5-fluoropiperidine-3-carbohydrazide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(4-Methylpiperidin-1-yl)propanehydrazide
CID 774285
2-Methyl-3-(4-methylpiperidin-1-yl)propanehydrazide
CID 3332405
rac-(2R,3R)-1,2-dimethylpiperidine-3-carbohydrazide, cis
CID 124252100
1-t-Butylpiperidine-4-carbohydrazide
CID 66911321
4-[3-(Trifluoromethyl)piperidin-1-yl]pentanehydrazide
CID 65545352
2-Methyl-3-[3-(trifluoromethyl)piperidin-1-yl]propanehydrazide
CID 65545405
5-[3-(Trifluoromethyl)piperidin-1-yl]pentanehydrazide
CID 65545464
3-[4-(Trifluoromethyl)piperidin-1-yl]butanehydrazide
CID 65545645
3-[3-(Trifluoromethyl)piperidin-1-yl]propanehydrazide
CID 65545833
2-Methyl-3-[4-(trifluoromethyl)piperidin-1-yl]propanehydrazide
CID 65545895
3-[3-(Trifluoromethyl)piperidin-1-yl]butanehydrazide
CID 65545944
5-[4-(Trifluoromethyl)piperidin-1-yl]pentanehydrazide
CID 65545950

Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-5-fluoropiperidine-3-carbohydrazide?
The IUPAC name of 1-tert-butyl-5-fluoropiperidine-3-carbohydrazide (CID 175863136) is 1-tert-butyl-5-fluoropiperidine-3-carbohydrazide.
What is the SMILES notation for 1-tert-butyl-5-fluoropiperidine-3-carbohydrazide?
The canonical SMILES for 1-tert-butyl-5-fluoropiperidine-3-carbohydrazide is CC(C)(C)N1CC(F)CC(C(=O)NN)C1.
What is the InChIKey of 1-tert-butyl-5-fluoropiperidine-3-carbohydrazide?
The InChIKey is RGEKVQAXRMTKJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20FN3O/c1-10(2,3)14-5-7(9(15)13-12)4-8(11)6-14/h7-8H,4-6,12H2,1-3H3,(H,13,15).
What are the key properties of 1-tert-butyl-5-fluoropiperidine-3-carbohydrazide?
1-tert-butyl-5-fluoropiperidine-3-carbohydrazide has a molecular weight of 217.29 g/mol, XLogP of 0.43, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-5-fluoropiperidine-3-carbohydrazide is sourced from PubChem (CID 175863136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).