1-tert-butylpiperidine-4-carbohydrazide

C10H21N3O — CID 66911321

IUPAC1-tert-butylpiperidine-4-carbohydrazide
SMILESCC(C)(C)N1CCC(C(=O)NN)CC1
InChIInChI=1S/C10H21N3O/c1-10(2,3)13-6-4-8(5-7-13)9(14)12-11/h8H,4-7,11H2,1-3H3,(H,12,14)
InChIKeyKDYMFZBVYDQKMD-UHFFFAOYSA-N
MW199.30 g/mol
LogP0.49
Rot. Bonds1

About 1-tert-butylpiperidine-4-carbohydrazide

1-tert-butylpiperidine-4-carbohydrazide (PubChem CID 66911321) has the molecular formula C10H21N3O and a molecular weight of 199.30 g/mol. Its IUPAC name is 1-tert-butylpiperidine-4-carbohydrazide.

Molecular Properties

Compound Name1-tert-butylpiperidine-4-carbohydrazide
PubChem CID66911321
Molecular FormulaC10H21N3O
Molecular Weight199.30 g/mol
Exact Mass199.17
IUPAC Name1-tert-butylpiperidine-4-carbohydrazide
SMILESCC(C)(C)N1CCC(C(=O)NN)CC1
InChIInChI=1S/C10H21N3O/c1-10(2,3)13-6-4-8(5-7-13)9(14)12-11/h8H,4-7,11H2,1-3H3,(H,12,14)
InChIKeyKDYMFZBVYDQKMD-UHFFFAOYSA-N
XLogP0.49
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.30
LogP ≤ 50.49
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'}

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Frequently Asked Questions

What is the IUPAC name of 1-tert-butylpiperidine-4-carbohydrazide?
The IUPAC name of 1-tert-butylpiperidine-4-carbohydrazide (CID 66911321) is 1-tert-butylpiperidine-4-carbohydrazide.
What is the SMILES notation for 1-tert-butylpiperidine-4-carbohydrazide?
The canonical SMILES for 1-tert-butylpiperidine-4-carbohydrazide is CC(C)(C)N1CCC(C(=O)NN)CC1.
What is the InChIKey of 1-tert-butylpiperidine-4-carbohydrazide?
The InChIKey is KDYMFZBVYDQKMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21N3O/c1-10(2,3)13-6-4-8(5-7-13)9(14)12-11/h8H,4-7,11H2,1-3H3,(H,12,14).
What are the key properties of 1-tert-butylpiperidine-4-carbohydrazide?
1-tert-butylpiperidine-4-carbohydrazide has a molecular weight of 199.30 g/mol, XLogP of 0.49, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butylpiperidine-4-carbohydrazide is sourced from PubChem (CID 66911321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).